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discodermolide

vr.tr.discodermolide · thing-q2920456

Enable an agent to recognize discodermolide, assess the identity and fitness of a particular sample, and determine which research or handling actions its evidence supports.

Thing Registry Physical world and living systems PHY.MAT

Bundle → Layer → Finding → Questions Filled

6 bundles · 11 layers · 16 findings · 27 questions

Parent identity Establish which stereochemically defined molecule the registry entry denotes.

Connectivity and stereochemistry

Represent the complete parent structure and evidence for stereochemical assignment.

Natural parent reference

The literature distinguishes natural (+)-discodermolide from its synthetic opposite enantiomer, making absolute configuration part of identity. Source: [synthesis and biological evaluation](https://pmc.ncbi.nlm.nih.gov/articles/PMC2991168/).

  1. Which authenticated structure fixes every stereocenter and alkene geometry for this entry? definition
  2. What evidence establishes agreement with that structure beyond molecular mass or optical rotation alone? measurement

Identifiers and neighbours

Resolve external identities and separate the parent from related substances.

Structure-linked identifiers

Accept external identifiers only after checking their represented structure and stereochemical specificity.

  1. Which verified CAS, PubChem and EC records resolve to the intended parent, and which are unavailable or ambiguous? provenance
  2. Does a proposed synonym denote the parent, an epimer, the opposite enantiomer or a modified analogue? boundary
Lot composition and origin Determine what a supplied discodermolide sample contains and how its identity is traceable.

Content and impurities

Separate parent amount, stereochemical composition and other constituents.

Usable parent content

Record quantitative parent content separately from chromatographic purity and identify limits in resolving closely related impurities.

  1. What method measures parent content, and does its reported percentage represent mass fraction or detector area? measurement
  2. Can the analytical evidence distinguish epimers, residual solvents and degradation products from intact discodermolide? measurement

Material lineage

Connect the lot to isolation or synthesis records and reference standards.

Traceable lot

Keep origin and chain of custody attached to the sample without turning the substance model into a manufacturing procedure.

  1. Which supplier, isolation record or synthesis record identifies this lot and its analytical release evidence? provenance
  2. Which authenticated reference material supports its assignment as (+)-discodermolide? provenance
Physical state and integrity Assess the physical presentation and persistence of intact discodermolide during storage and preparation.

Solid and solution behaviour

Attach measured physical properties to the actual material and conditions.

Available dissolved parent

Distinguish isolated-material properties, stock-solvent solubility and behavior after dilution into an assay medium.

  1. What solid-state and thermal measurements are available, and do observed transitions represent melting or decomposition? measurement
  2. What concentration remains dissolved after dilution into the intended medium at the stated temperature and solvent fraction? measurement

Storage and degradation

Evaluate whether storage and preparation preserve the specified parent structure.

Integrity over time

Treat possible changes involving the lactone or unsaturated framework as analytical questions until demonstrated for the actual conditions.

  1. How much intact parent remains after the recorded temperature, light, solvent and freeze-thaw exposure? measurement
  2. Which measured acceptance criteria justify continued use, reanalysis or rejection of this stock? action
Biological action and evidence Represent discodermolide's experimentally supported molecular and cellular effects.

Tubulin interaction

Connect binding evidence to effects on microtubule assembly and stability.

Taxane-site stabilization

Structural research places discodermolide at the taxane site of β-tubulin and relates its binding to microtubule stabilization. Source: [structural basis of stabilization](https://pmc.ncbi.nlm.nih.gov/articles/PMC5559732/).

  1. Which direct binding or structural evidence supports the claimed interaction in the relevant tubulin system? provenance
  2. Under which tubulin concentration, nucleotide conditions and temperature was stabilization measured? measurement

Cellular response boundaries

Keep cellular endpoints and experimental contexts distinct.

Endpoint-specific response

Experimental work reports mitotic arrest in MG63 cells; this remains a specified cellular observation rather than a universal response or therapeutic conclusion. Source: [binding and mitotic-arrest study](https://pubmed.ncbi.nlm.nih.gov/8807856/).

  1. Which endpoint was measured: proliferation inhibition, mitotic arrest, senescence, apoptosis or another response? definition
  2. What cell model, exposure duration, vehicle control and verified parent concentration support the reported potency? measurement
  3. What additional evidence is required before extending this result to another cell system or an organism? boundary
Handling and use constraints Connect the actual material presentation to documented containment and permitted-use decisions.

Exposure and classification

Distinguish biological hazard evidence from supplier and jurisdiction-specific classifications.

Documented handling basis

Record the applicable safety documentation without inventing a GHS category or an occupational exposure limit.

  1. Which current safety data sheet and institutional assessment cover this lot, concentration and physical form? provenance
  2. Are GHS classifications and exposure limits documented, absent from the checked sources or still unverified? definition

Allowed actions

Identify conditions governing transfer, experimentation and disposal.

Evidence-bounded use

Determine permitted actions from the intended experiment and applicable documentation; substance identity alone does not authorize administration.

  1. Which documented controls govern weighing, dissolving, transferring and disposing of this discodermolide material? action
  2. What approvals and material qualifications are required for the proposed research use? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.

Reported evidence

Findings from the breadth pass, kept separate from the structural claims.

Check these first

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these check these first hold for the sense of discodermolide this model covers, and on what evidence? provenance

Identifiers and schemes

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these identifiers and schemes hold for the sense of discodermolide this model covers, and on what evidence? provenance

Real-world use

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these real-world use hold for the sense of discodermolide this model covers, and on what evidence? provenance

Typical measurements

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these typical measurements hold for the sense of discodermolide this model covers, and on what evidence? provenance

Failure modes and hazards

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these failure modes and hazards hold for the sense of discodermolide this model covers, and on what evidence? provenance

Neighbouring kinds and how to tell them apart

Recalled without web access and unsourced; every item is a lead to verify.

  1. Which of these neighbouring kinds and how to tell them apart hold for the sense of discodermolide this model covers, and on what evidence? provenance

Classifiers Filled

Family
Thing Registry
Category
Physical world and living systems
Entry kind
thing
Plane
PHY
Domain
PHY.MAT

What it is Filled

Discodermolide is a polyhydroxylated polyketide lactone originally isolated from the marine sponge Discodermia dissoluta that stabilizes microtubules and exhibits potent antiproliferative activity.

In scope

  • Molecular connectivity, absolute stereochemistry and distinction from the opposite enantiomer
  • Sample purity, concentration, impurities and analytical identity evidence
  • Isolated-material and solution state, stability and storage history
  • Evidence for tubulin binding, microtubule stabilization and cellular effects
  • Source provenance and documented restrictions on handling and use

Out of scope

  • The source sponge as an organism or ecological population
  • Synthetic routes and extraction operations as independently modeled processes
  • Discodermolide analogues, derivatives and molecular hybrids as separate substances
  • Finished formulations and delivery systems as products
  • Clinical treatment protocols and patient-specific decisions

Why it exists Filled

Enable an agent to recognize discodermolide, assess the identity and fitness of a particular sample, and determine which research or handling actions its evidence supports.

Distinguishing features Filled

  • Require connectivity and stereochemical agreement with natural (+)-discodermolide; the opposite enantiomer and individual epimers do not satisfy that identity merely because their mass matches.
  • Check the characteristic polypropionate framework, δ-lactone, carbamate, hydroxyl substitution and unsaturation pattern against an authenticated structure. Structural context: [synthesis and biological evaluation](https://pmc.ncbi.nlm.nih.gov/articles/PMC2991168/).
  • Distinguish discodermolide from paclitaxel and other microtubule stabilizers by molecular structure; a shared biological endpoint is insufficient identification.
  • Require the unmodified parent structure when distinguishing discodermolide from simplified analogues or discodermolide-paclitaxel hybrids.

What robots and AI may and may not do Filled

Must not

  • Present it as an approved or proven cancer treatment.
  • Help supply it to patients outside lawful clinical trials.
  • Encourage harvesting of wild marine sponges to obtain it.
  • Handle samples outside a controlled laboratory.

Only with a human decision

  • Any use in human research.
  • Disposal of research samples.

May

  • Identify discodermolide by name, source and documented properties, citing sources.
  • Report the status of its clinical research accurately, including that it is not an approved medicine.
  • Record the identity and storage of research samples for their keeper.

Moral aspects Filled

  • False hope for cancer patients is a real harm when experimental compounds are oversold.
  • Marine natural products raise questions of fair benefit for source countries.

Who is affected

  • Cancer patients and families
  • Research staff
  • Marine ecosystems

Owners Filled

Steward

The research institution holding the samples.

Links to other meta-models Filled

parent

  • Q104907852 - registry parent class

What else AI and robots need to interact with it Filled

Identity and identifiers required Filled

  • Vercy registry: vr.tr.discodermolide
  • Wikidata: Q2920456 (https://www.wikidata.org/wiki/Q2920456)

Direct properties required Filled

  • Stereochemical identity: Natural (+) configuration confirmed; opposite enantiomer; stereoisomeric mixture; unresolved
  • Registry identifier concordance: Structure-linked CAS, PubChem and EC records, each with source and verification date or explicit unresolved status
  • Parent-compound content: Mass fraction or molar fraction; chromatographic area percentage recorded separately with method
  • Stereoisomeric composition: Enantiomeric excess and diastereomer proportions, with method and uncertainty
  • Material presentation: Isolated solid; dissolved stock; suspension; formulated mixture; unknown
  • Dissolved parent concentration: µmol/L or mmol/L, with solvent, temperature, preparation date and measurement basis
  • Condition-dependent stability: Parent remaining as percentage over hours or days under specified conditions
  • Microtubule-stabilizing activity: Assay-specific polymerization, depolymerization or binding endpoint with concentration and experimental conditions
  • Cellular response: Endpoint-specific potency in nmol/L or µmol/L, with cell model, exposure time and uncertainty
  • Handling and use status: Documented supplier and institutional controls, jurisdiction-specific classification, permitted use or unresolved

Recognition required Filled

  • Identity rests on labels and analytical data, not appearance.
  • Exists mainly as small research samples.

Capabilities and actions required Filled

  • Compare a candidate sample with an authenticated discodermolide structure and analytical reference.
  • Qualify or reject a lot for a specified experiment using composition and condition evidence.
  • Calculate parent-equivalent assay loading from measured content and dissolved concentration.
  • Select storage and preparation conditions supported by stability and solubility evidence.
  • Compare biological results only after aligning stereoisomer, exposure and assay conditions.
  • Flag unresolved identity, deterioration or handling requirements before further use.

Hazards and failure modes required Filled

  • Potent cell toxicity to staff handling samples.
  • Toxicity seen in clinical research.
  • Overstated treatment claims.

Standards and interfaces required Filled

  • Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations.

Context of use required Filled

  • Discodermolide is encountered in natural products chemistry, chemical synthesis and laboratory research on microtubule stabilization.
  • Researchers use it to investigate cell division and antiproliferative effects, with sample identity and purity essential to interpreting results.
  • Its history as an experimental anticancer compound does not establish suitability for routine clinical treatment.

Sources Filled

  1. Wikidata item Q2920456: discodermolide - identity and sense of the item
  2. Wikipedia: Discodermolide - general description of the item

Open questions

  • Which authoritative CAS, PubChem and EC records match natural (+)-discodermolide with explicit stereochemistry?
  • Which authenticated reference and analytical methods reliably resolve the parent from its antipode, epimers and relevant degradation products?
  • What measured solubility, solid-state and thermal data apply to characterized discodermolide, and is boiling behavior measurable before decomposition?
  • What storage conditions, solution lifetimes and degradation pathways are supported by direct stability measurements?
  • What current jurisdiction-specific classifications, exposure limits and use restrictions apply to the intended material and research setting?

Machine files

Provenance

thing registry research (pass 2) · unreviewed

Built from: models/things/publications/thing-q2920456/spec.json