{ "vercy": "1.0-draft", "publication": { "status": "research-draft", "adjudicationStatus": "unreviewed", "publishableCanonical": false, "generatedAt": "2026-09-12T09:32:36Z", "providers": [ "Codex" ], "breadth": "recalled by Codex without web access - no source was read", "missingProviders": [], "pass": 2, "cost": { "grok": { "seconds": 21.2, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094f4-cf2b-79e0-be2b-2a0b755e97f6\n--------\nuser\nDescribe what is already known about one registered thing. Answer as JSON only, no prose around it.\n\nThing: estramustine\nSense to describe: (none recorded)\nDomain code: PHY.MAT\nAlso known as: (none)\n\n\nContext for this batch of 1001 things:\n# Batch 043: 1001 re", "usd": 0.0, "recall": true }, "codex": { "seconds": 90.1, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094f4-cf1e-7bd1-8b46-fb4397091457\n--------\nuser\nYou are drafting a Vercy meta-model for one registered thing. Answer as JSON only, no prose around it.\n\nThing: estramustine\nRegistry id: vr.tr.estramustine\nPlane / domain: PHY / PHY.MAT\nRegistry definition: (none recorded)\nNames folded into this entry: (none)\n" } }, "enrichment": { "pass": 3, "engine": "claude", "producedAt": "2026-10-06T12:00:00Z", "ingestedAt": "2026-10-06T08:57:13+00:00", "fields": [ "agent_conduct", "ethics", "failure_modes_and_hazards", "owners", "standards_and_regulation", "visual_identification" ] }, "gate": { "passed": true, "version": "1.0", "at": "2026-10-07T10:10:30+00:00", "evidence": [ "completeness 1.00", "sense: Wikidata description", "2 live sources", "review by codex: pass" ] } }, "metaModel": { "id": "THING-Q412939", "registryId": "vr.tr.estramustine", "name": "estramustine", "version": "0.1.0-research.1", "entryKind": "thing", "family": "Thing Registry", "domain": [ "PHY.MAT" ], "status": "research-draft" }, "canonicalUrl": "https://ver.cy/models/thing/q412939/", "model": { "registry_id": "vr.tr.estramustine", "name": "estramustine", "purpose": "Enable an agent to identify estramustine, assess the identity and condition of a material or analytical sample, and determine whether evidence supports its intended handling or use.", "definition": "Estramustine is a synthetic estradiol-nitrogen-mustard carbamate with estrogenic and antimitotic activity, formed as an active metabolite of the anticancer drug estramustine phosphate.", "scope_statement": "This model owns vr.tr.estramustine in PHY / PHY.MAT: the unphosphorylated estramustine molecule, its material forms, sample quality, measured properties and substance-specific biological evidence, with explicit relations to phosphate derivatives and medicinal products.", "in_scope": [ "Molecular connectivity, steroid stereochemistry and identifiers for estramustine", "Anhydrous, hydrated, dissolved and sample-associated states", "Assay, related substances, analytical discrimination and grade", "Condition-dependent solubility, thermal behaviour and stability", "Biological activity and transformation evidence attributable to estramustine", "Substance-specific hazard evidence and constraints on material use" ], "out_of_scope": [ "Estramustine phosphate and its sodium salts as independently identified substances", "Branded medicines, dosage forms, excipients and product authorisations", "Patient-specific prescribing, dosing and treatment selection", "Prostate cancer classification and clinical care pathways", "Manufacturing processes, equipment and facility qualification", "Independent models of estradiol, estromustine and other related compounds" ], "distinguishing_features": [ "Confirm the estradiol scaffold bearing a 3-O-linked N,N-bis(2-chloroethyl)carbamate; co-presence of estradiol and a nitrogen mustard does not establish this covalent identity. [Structural study](https://pubmed.ncbi.nlm.nih.gov/1545778/)", "Check for a free 17β-hydroxyl group: estramustine phosphate instead carries a phosphate ester at that position. [NCI chemical description](https://www.cancer.gov/publications/dictionaries/cancer-drug/def/estramustine-phosphate-sodium)", "Distinguish estramustine's 17β-alcohol from estromustine's 17-oxo group using structure-resolving evidence. [Structural study](https://pubmed.ncbi.nlm.nih.gov/1545778/)", "Use formula C23H31Cl2NO3 and PubChem CID 259331 as identity checks, while separately accounting for water or solvent in a supplied material. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/259331)", "Treat broad vocabulary matches cautiously: the MeSH estramustine heading also includes phosphate and trade-name terms, so a heading match alone cannot identify the molecular species. [MeSH](https://meshb.nlm.nih.gov/record/ui?ui=D004961)" ], "characteristics": [ { "name": "Structure-resolved identity", "kind": "category", "unit_or_values": "Stereochemically explicit structure; formula C23H31Cl2NO3; identifier agreement or conflict", "why_it_matters": "Separates estramustine from derivatives, stereoisomers and broad drug-name records." }, { "name": "External identifier mapping", "kind": "relation", "unit_or_values": "CAS 2998-57-4; PubChem CID 259331; EC identifier subject to verification", "why_it_matters": "Supports cross-catalogue matching; CAS attribution is recorded by [MeSH](https://meshb.nlm.nih.gov/record/ui?ui=D004961), and CID attribution by [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/259331)." }, { "name": "Hydration and physical form", "kind": "state", "unit_or_values": "Anhydrous, hydrate, other characterised solid form, solution or unresolved; water in mol/mol or % w/w", "why_it_matters": "Changes the basis of weighing, concentration calculations and comparison between lots." }, { "name": "Estramustine assay", "kind": "measurement", "unit_or_values": "% w/w or mol/mol with method, uncertainty and as-received or dry basis", "why_it_matters": "Establishes actual estramustine content rather than equating chromatographic peak area with mass purity." }, { "name": "Related-substance profile", "kind": "measurement", "unit_or_values": "Individual impurities in % w/w, mol/mol or concentration units; detection limits", "why_it_matters": "Tracks phosphate carryover, estromustine, estradiol and unidentified components when analytically relevant." }, { "name": "Material grade", "kind": "category", "unit_or_values": "Reference material, research material or another documented grade; specification and intended-use restrictions", "why_it_matters": "Prevents purity alone from being interpreted as suitability for clinical or regulated use." }, { "name": "Solubility and dissolved concentration", "kind": "measurement", "unit_or_values": "mg/mL or mol/L with solvent, temperature, pH where applicable and equilibration method", "why_it_matters": "Supports sample preparation without borrowing solubility claims from phosphate derivatives." }, { "name": "Thermal behaviour", "kind": "measurement", "unit_or_values": "Melting, dehydration or decomposition temperature in °C; method and pressure; boiling point only if experimentally meaningful", "why_it_matters": "Distinguishes phase transitions from degradation and supports appropriate storage and processing decisions." }, { "name": "Stability status", "kind": "state", "unit_or_values": "Within validated interval, excursion under review, degraded or unknown; temperature, light, humidity and elapsed time", "why_it_matters": "Connects sample history to current suitability." }, { "name": "Biological activity attribution", "kind": "relation", "unit_or_values": "Tested molecular species, assay system, endpoint, concentration, exposure duration and evidence source", "why_it_matters": "Separates effects of estramustine from effects observed after administering a related drug." }, { "name": "Hazard and regulatory evidence", "kind": "category", "unit_or_values": "GHS classification, applicable exposure limit or explicit unknown, jurisdiction, source version and exact substance form", "why_it_matters": "Makes handling decisions traceable without inheriting classifications from a different chemical or product." } ], "affordances": [ "Resolve a labelled material or literature mention to estramustine, a related species or an unresolved identity.", "Assess a lot against an intended-use specification using assay, impurities, hydration and provenance.", "Calculate estramustine amount or concentration using the documented material form and assay basis.", "Select an analytical approach capable of separating estramustine from relevant neighbouring compounds.", "Evaluate storage excursions and sample preparation against measured stability and solubility evidence.", "Route handling and use decisions to applicable substance evidence and documented local controls." ], "agent_conduct": { "may": [ "Identify estramustine as an anticancer agent and active metabolite, citing sources.", "Report storage and hazardous-drug labelling of a held stock." ], "must_not": [ "Recommend estramustine or its prodrug for a person.", "Handle it without the precautions for cytotoxic medicines.", "Supply or describe ways to obtain it outside lawful channels.", "Dispose of it in drains or general waste." ], "requires_human": [ "Any treatment decision involving it.", "Disposing of cytotoxic stock." ] }, "ethics": { "considerations": [ "Cytotoxic drugs harm healthy cells, so exposure endangers handlers and carers.", "Cancer patients are vulnerable to misleading treatment advice." ], "affected_parties": [ "Cancer patients", "Pharmacy and nursing staff", "Waste handlers" ] }, "owners": { "steward": "The hospital pharmacy or manufacturer holding it; the medicines regulator authorizes its use.", "master_systems": [ "National medicines registers" ] }, "visual_identification": [ "As a medicine, capsules in labelled packs carrying cytotoxic warnings.", "Cannot be identified by appearance; the label and analysis settle identity." ], "failure_modes_and_hazards": [ "Occupational exposure to cytotoxic material.", "Side effects such as blood clots in treated patients." ], "standards_and_regulation": [ "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations." ], "what_it_is_for": [ "Estramustine is encountered in cancer pharmacology as an active metabolite formed from estramustine phosphate.", "It is studied in biological samples and laboratory research concerned with drug metabolism and antimitotic activity.", "Analytical work distinguishes estramustine from its phosphate precursor and other metabolites because these represent different chemical substances." ] }, "sources": [ { "id": "wikidata", "title": "Wikidata item Q412939: estramustine", "url": "https://www.wikidata.org/wiki/Q412939", "url_status": "live", "what_it_supports": "identity and sense of the item", "checked_by": "wikidata-api" }, { "id": "wikipedia-en", "title": "Wikipedia: Estramustine", "url": "https://en.wikipedia.org/wiki/Estramustine", "url_status": "live", "what_it_supports": "general description of the item", "checked_by": "wikidata-api sitelink" } ], "structure": { "bundles": [ { "id": "molecular-identity-and-boundaries", "name": "Molecular identity and boundaries", "description": "Establish which chemical entity the estramustine name denotes in each record.", "rationale": "Drug vocabularies can group the parent molecule, phosphate derivatives and products under overlapping names.", "layers": [ { "id": "structure-confirmation", "name": "Structure confirmation", "description": "Resolve connectivity and stereochemistry before accepting a name match.", "findings": [ { "id": "estramustine-structural-signature", "name": "Estramustine structural signature", "description": "Require evidence for the steroid scaffold, 3-carbamate substituent and free 17β-hydroxyl group.", "questions": [ { "text": "Which explicit structure and stereochemical assignments define estramustine in this record?", "kind": "definition", "id": "estramustine-structural-signature-q01" }, { "text": "Which analytical or authoritative structural evidence confirms those assignments for the material?", "kind": "provenance", "id": "estramustine-structural-signature-q02" } ] } ] }, { "id": "identifier-and-name-resolution", "name": "Identifier and name resolution", "description": "Map substance identifiers without converting broader indexing terms into chemical synonyms.", "findings": [ { "id": "parent-derivative-product-separation", "name": "Parent, derivative and product separation", "description": "Record whether each source means estramustine, its phosphate derivative, a salt or a formulated medicine.", "questions": [ { "text": "Do the CAS number, PubChem record and any EC identifier resolve to the same unphosphorylated structure?", "kind": "provenance", "id": "parent-derivative-product-separation-q01" }, { "text": "Does a source using the word estramustine actually describe a phosphate salt or branded preparation?", "kind": "boundary", "id": "parent-derivative-product-separation-q02" } ] } ] } ] }, { "id": "material-form-and-quality", "name": "Material form and quality", "description": "Represent the composition and fitness of a particular estramustine lot or sample.", "rationale": "Molecular identity alone does not establish water content, analyte amount or suitability for an intended assay.", "layers": [ { "id": "solid-and-solution-state", "name": "Solid and solution state", "description": "Characterise hydration, solid form and the medium containing estramustine.", "findings": [ { "id": "hydration-and-content-basis", "name": "Hydration and content basis", "description": "Anhydrous estramustine and its monohydrate have been structurally studied; document the actual sample form and mass basis. [Structural study](https://pubmed.ncbi.nlm.nih.gov/1545778/)", "questions": [ { "text": "Is the sample anhydrous, hydrated, solvated or dissolved, and what measurement establishes that state?", "kind": "measurement", "id": "hydration-and-content-basis-q01" }, { "text": "Is reported estramustine content expressed on an as-received, dry or solvent-free basis?", "kind": "definition", "id": "hydration-and-content-basis-q02" } ] } ] }, { "id": "assay-and-related-substances", "name": "Assay and related substances", "description": "Assess lot-specific content, analytical selectivity and grade.", "findings": [ { "id": "selective-assay-and-grade", "name": "Selective assay and grade", "description": "Require a method that quantifies estramustine while addressing relevant related compounds and matrix interference.", "questions": [ { "text": "Can the method distinguish estramustine from estromustine, estradiol and estramustine phosphate at the required reporting limits?", "kind": "measurement", "id": "selective-assay-and-grade-q01" }, { "text": "Which lot certificate, reference standard and acceptance specification justify the stated grade and intended use?", "kind": "provenance", "id": "selective-assay-and-grade-q02" }, { "text": "Which failed or unresolved quality criteria require rejection, quarantine or additional analysis?", "kind": "action", "id": "selective-assay-and-grade-q03" } ] } ] } ] }, { "id": "physical-properties-and-stability", "name": "Physical properties and stability", "description": "Tie estramustine properties to measured form, environment and time.", "rationale": "Preparation and storage decisions require parent-specific measurements, especially where phosphate-derived values might otherwise be substituted.", "layers": [ { "id": "dissolution-and-thermal-behaviour", "name": "Dissolution and thermal behaviour", "description": "Capture usable physical measurements with their experimental conditions.", "findings": [ { "id": "condition-qualified-property-values", "name": "Condition-qualified property values", "description": "Separate measured solubility and thermal transitions from predictions or values for related substances.", "questions": [ { "text": "What equilibrium solubility is measured for the identified estramustine form in the intended solvent and temperature range?", "kind": "measurement", "id": "condition-qualified-property-values-q01" }, { "text": "Do reported thermal events represent melting, dehydration or decomposition, and is any boiling-point value experimentally supported?", "kind": "measurement", "id": "condition-qualified-property-values-q02" } ] } ] }, { "id": "storage-and-preparation-history", "name": "Storage and preparation history", "description": "Evaluate whether handling preserves estramustine identity and concentration.", "findings": [ { "id": "validated-stability-window", "name": "Validated stability window", "description": "Connect storage, dissolution and sampling conditions to stability-indicating measurements.", "questions": [ { "text": "How do light, temperature, moisture, solvent and elapsed time affect estramustine assay and impurity formation?", "kind": "measurement", "id": "validated-stability-window-q01" }, { "text": "What evidence supports continued use after a storage excursion, dissolution or repeated freeze-thaw cycles?", "kind": "action", "id": "validated-stability-window-q02" } ] } ] } ] }, { "id": "biological-activity-and-transformations", "name": "Biological activity and transformations", "description": "Attribute biological observations and chemical conversions to the correct molecular species.", "rationale": "The nitrogen-mustard motif and overlapping drug names can encourage unsupported mechanism or exposure assumptions.", "layers": [ { "id": "mechanistic-evidence", "name": "Mechanistic evidence", "description": "Represent measured activities separately from structural or therapeutic class labels.", "findings": [ { "id": "activity-attributed-to-tested-species", "name": "Activity attributed to tested species", "description": "Research links estramustine to microtubule-associated proteins and antimitotic activity; its mustard motif alone does not establish conventional alkylating behaviour. [Primary study](https://pubmed.ncbi.nlm.nih.gov/1545778/)", "questions": [ { "text": "Which experiments directly test estramustine for microtubule-related, hormonal or alkylating activity?", "kind": "provenance", "id": "activity-attributed-to-tested-species-q01" }, { "text": "What concentration, exposure duration, biological system and endpoint support each activity claim?", "kind": "measurement", "id": "activity-attributed-to-tested-species-q02" } ] } ] }, { "id": "precursors-metabolites-and-sample-conversion", "name": "Precursors, metabolites and sample conversion", "description": "Track relationships to phosphate derivatives and other species without merging their identities.", "findings": [ { "id": "conversion-and-exposure-attribution", "name": "Conversion and exposure attribution", "description": "Require evidence identifying precursor, product and conversion setting, including possible changes during sample processing.", "questions": [ { "text": "Which studies demonstrate formation or loss of estramustine, and which precursor or product structures were confirmed?", "kind": "provenance", "id": "conversion-and-exposure-attribution-q01" }, { "text": "Does a reported concentration quantify estramustine specifically or combine it with related compounds?", "kind": "boundary", "id": "conversion-and-exposure-attribution-q02" }, { "text": "Could collection, extraction or storage change the measured balance between estramustine and related species?", "kind": "measurement", "id": "conversion-and-exposure-attribution-q03" } ] } ] } ] }, { "id": "hazards-and-use-constraints", "name": "Hazards and use constraints", "description": "Make handling and intended-use decisions depend on evidence applicable to the actual estramustine material.", "rationale": "Neither therapeutic association nor a related product's safety documentation establishes the classification or permissible use of a parent-compound sample.", "layers": [ { "id": "substance-specific-hazard-evidence", "name": "Substance-specific hazard evidence", "description": "Resolve the identity, jurisdiction and evidential basis of hazard information.", "findings": [ { "id": "classification-and-exposure-evidence", "name": "Classification and exposure evidence", "description": "Record verified GHS classifications and exposure controls while preserving unknown or conflicting entries.", "questions": [ { "text": "Which current safety data sheet or regulatory record explicitly covers unphosphorylated estramustine and the supplied form?", "kind": "provenance", "id": "classification-and-exposure-evidence-q01" }, { "text": "Which hazard classifications and occupational exposure limits are documented, and which remain unestablished?", "kind": "definition", "id": "classification-and-exposure-evidence-q02" } ] } ] }, { "id": "handling-and-use-eligibility", "name": "Handling and use eligibility", "description": "Apply documented material restrictions to the intended operation.", "findings": [ { "id": "evidence-supported-material-actions", "name": "Evidence-supported material actions", "description": "Connect sample form, quality and hazard documentation to permitted preparation, transfer, storage and disposal.", "questions": [ { "text": "Which documented controls apply when weighing estramustine powder, preparing solutions or disposing of contaminated material?", "kind": "action", "id": "evidence-supported-material-actions-q01" }, { "text": "Does the material's documented grade permit the proposed use, or does that use require a separately authorised medicinal product?", "kind": "boundary", "id": "evidence-supported-material-actions-q02" } ] } ] } ] }, { "id": "evidence-and-external-alignment", "name": "Evidence and external alignment", "description": "What the world already says about this thing, gathered so the model can be checked against it.", "rationale": "A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.", "layers": [ { "id": "reported-evidence", "name": "Reported evidence", "description": "Findings from the breadth pass, kept separate from the structural claims.", "findings": [ { "id": "evidence-confidence-notes", "name": "Check these first", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "This description is recalled knowledge; no sources were consulted.", "Verify the exact CAS number, solid-state properties, purity specifications, and substance-specific hazard classification.", "Keep evidence about pure estramustine separate from prescribing information for estramustine phosphate products." ], "questions": [ { "id": "evidence-confidence-notes-q01", "text": "Which of these check these first hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-identifiers", "name": "Identifiers and schemes", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "scheme": "International Nonproprietary Name (INN)", "value_or_pattern": "estramustine", "note": "Names the compound, which must be distinguished from estramustine phosphate and its salts." }, { "scheme": "CAS Registry Number", "value_or_pattern": "Up to seven digits, a hyphen, two digits, a hyphen, and one check digit", "note": "The exact substance-specific number requires verification." } ], "questions": [ { "id": "evidence-identifiers-q01", "text": "Which of these identifiers and schemes hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-real-world-use", "name": "Real-world use", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "An active metabolite contributing to the effects of estramustine phosphate in prostate cancer treatment.", "Used in research on microtubule disruption and antimitotic activity." ], "questions": [ { "id": "evidence-real-world-use-q01", "text": "Which of these real-world use hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-measurements", "name": "Typical measurements", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "quantity": "Molar mass", "typical_range": "Approximately 440.40", "unit": "g/mol" } ], "questions": [ { "id": "evidence-measurements-q01", "text": "Which of these typical measurements hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-failure-modes-and-hazards", "name": "Failure modes and hazards", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Antimitotic activity can damage dividing cells and warrants controlled handling.", "Clinical estramustine phosphate exposure carries estrogen-associated risks, including thromboembolic events and fluid retention; these are not a standalone hazard classification for pure estramustine.", "Confusing estramustine with estramustine phosphate can produce incorrect molecular-mass, formulation, and dosing assumptions.", "The nitrogen-mustard structural group does not justify treating its mechanism as equivalent to conventional DNA-alkylating nitrogen mustards." ], "questions": [ { "id": "evidence-failure-modes-and-hazards-q01", "text": "Which of these failure modes and hazards hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-neighbours", "name": "Neighbouring kinds and how to tell them apart", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "name": "Estramustine phosphate", "difference": "The phosphate ester used as a medicinal precursor; dephosphorylation produces estramustine." }, { "name": "Estradiol", "difference": "The parent estrogen lacks estramustine's bis(2-chloroethyl)carbamate substituent." }, { "name": "Estromustine", "difference": "The related metabolite has a ketone at carbon 17 instead of estramustine's hydroxyl group." }, { "name": "Nitrogen mustards", "difference": "A broader structural family; estramustine is a specific steroid-linked derivative whose antimitotic action involves microtubule-associated processes." } ], "questions": [ { "id": "evidence-neighbours-q01", "text": "Which of these neighbouring kinds and how to tell them apart hold for the sense of estramustine this model covers, and on what evidence?", "kind": "provenance" } ] } ] } ] } ] }, "openQuestions": [ "Which authoritative EC identifier and jurisdiction-specific chemical records apply to unphosphorylated estramustine rather than its phosphate or sodium salt?", "What reproducible solubility, melting and decomposition measurements exist for each characterised estramustine solid form, and is a boiling point meaningful?", "Which validated methods quantify estramustine separately from estromustine, estradiol and phosphate derivatives in relevant material and biological matrices?", "What current parent-specific GHS classifications, occupational exposure limits and handling requirements are supported by applicable documentation?", "Which storage conditions and biological transformation or activity claims are demonstrated directly for estramustine rather than inferred from phosphate-product studies?" ], "statistics": { "bundles": 6, "layers": 11, "findings": 16, "questions": 28 } }