lifitegrast
Enable an agent to identify lifitegrast, assess the identity and quality of a material lot, and determine its suitability for a specified research or pharmaceutical use.
Bundle → Layer → Finding → Questions Filled
6 bundles · 11 layers · 17 findings · 27 questions
Lifitegrast chemical identity Establishes the parent structure, stereochemistry and boundary between lifitegrast and related material forms.
Parent structure
Defines the molecular identity against which candidate materials are checked.
Structure and stereochemistry
The prescribing information identifies an S-configured parent substance with formula C29H24Cl2N2O7S and molecular weight 615.5 g/mol. [DailyMed prescribing information](https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=1d4b4b61-79da-4b6f-bb19-056d111bf400).
- Which stereochemistry-explicit structure and analytical identity tests define lifitegrast for this record? definition
- Which authoritative records verify the CAS number, PubChem CID, UNII and any applicable EC identifier against that exact structure? provenance
Related forms and products
Separates chemical-form variants and formulated products from the parent identity.
Parent-equivalent boundary
A salt, hydrated material or ophthalmic solution requires an explicit relationship to the parent substance and a stated quantity basis.
- Does the material designation mean parent lifitegrast, an identified salt or solvate, or a mixture containing lifitegrast? boundary
- What form-specific conversion is needed to express the reported quantity as parent lifitegrast? measurement
Lifitegrast lot quality Connects measured composition and traceability to the suitability of a specific lifitegrast lot.
Assay and related substances
Records parent content separately from stereochemical and other impurity measurements.
Quantified lot composition
The proposed model requires assay basis, chiral purity and relevant impurity results rather than one ambiguous purity percentage.
- What are the lifitegrast mass assay and stereochemical purity, and which methods and reference standards support them? measurement
- Which process-related impurities, degradation products, residual solvents and other contaminants must be controlled for the intended use? boundary
Grade and disposition
Associates lot history and specifications with explicit release decisions.
Use-specific release
Research-grade and pharmaceutical-use claims need traceable evidence; neither establishes that bulk lifitegrast is ready for ocular administration.
- Which manufacturer, lot identifier, certificate and approved specification establish the claimed grade? provenance
- Do the available results justify release for the stated use, or require quarantine, rejection or retesting? action
Lifitegrast physical behavior Records condition-dependent solid-state, dissolution and degradation behavior.
Solid state and dissolution
Relates material form to thermal measurements and solution preparation.
Form-conditioned properties
Property values require identified material form and measurement conditions; unverified constants remain unresolved.
- What evidence identifies the solid form and distinguishes melting, desolvation and thermal decomposition events? measurement
- How do pH, solvent, temperature and parent-versus-salt form affect measured solubility and precipitation? measurement
Stability and retest
Connects environmental exposure and elapsed time to chemical quality.
Supported storage window
Storage and retest conditions must be supported for the actual bulk material or prepared solution.
- Which stability-indicating results establish sensitivity to light, moisture, temperature and solution conditions? measurement
- After a storage excursion or solution hold, what evidence is required before this material can be used? action
Lifitegrast biological function Links lifitegrast identity to target interaction and distinguishes assay evidence from clinical product claims.
Target interaction
Records the biological relationship and conditions used to measure it.
LFA-1-ICAM-1 interference
Lifitegrast binds LFA-1 and blocks its interaction with ICAM-1; the label states that its exact mechanism in dry eye disease is unknown. [DailyMed prescribing information](https://dailymed.nlm.nih.gov/dailymed/fda/fdaDrugXsl.cfm?setid=1d4b4b61-79da-4b6f-bb19-056d111bf400).
- Which binding, adhesion or cellular assay supports the stated lifitegrast activity? provenance
- What potency was measured, with which endpoint, biological system, concentration basis and uncertainty? measurement
Activity to product evidence
Controls the transfer of evidence between substance assays and ophthalmic products.
Context-limited extrapolation
A target assay does not establish patient benefit, and product clinical findings do not qualify an arbitrary lifitegrast lot.
- Which claims concern isolated lifitegrast activity, and which depend on a specified ophthalmic formulation and clinical study? boundary
- What additional comparability evidence is needed before substituting this material in a biological assay or formulation study? action
Lifitegrast handling and regulatory context Establishes evidence-based bulk handling constraints and jurisdiction-specific links to permitted uses.
Bulk exposure and disposal
Records hazards for the actual lifitegrast material and operation.
Material-specific hazard evidence
The model requires a matched safety data sheet and explicit uncertainty where occupational or environmental evidence is missing.
- Which current safety data sheet supports the GHS classification and any occupational exposure limit or internal exposure band for this material? provenance
- What containment, protective equipment and waste route are supported for weighing, dissolving or disposing of this lifitegrast lot? action
Jurisdiction and use status
Connects substance identity to dated regulatory evidence without assigning product approval to bulk material.
Authorization boundary
Regulatory records must identify the jurisdiction, date, regulated entity and specific use to which they apply.
- Which official records establish lifitegrast substance identity and the status of relevant medicinal products in the intended jurisdiction? provenance
- Which requirements attach to this bulk API and proposed use, and which belong to a finished-product authorization? boundary
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.
- Which of these check these first hold for the sense of lifitegrast this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these identifiers and schemes hold for the sense of lifitegrast this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these real-world use hold for the sense of lifitegrast this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these typical measurements hold for the sense of lifitegrast 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.
- Which of these failure modes and hazards hold for the sense of lifitegrast this model covers, and on what evidence? provenance
Regional variation
Recalled without web access and unsourced; every item is a lead to verify.
- Which of these regional variation hold for the sense of lifitegrast 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.
- Which of these neighbouring kinds and how to tell them apart hold for the sense of lifitegrast 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
Lifitegrast is a small-molecule antagonist of lymphocyte function-associated antigen-1 (LFA-1) that inhibits its interaction with intercellular adhesion molecule-1 (ICAM-1) and is used in ophthalmic treatment of dry eye disease.
In scope
- Molecular structure, stereochemistry and verified substance identifiers
- Free-acid identity and relationships to salts, solvates and formulated ingredients
- Lot-specific assay, impurities, grade and traceability
- Physical form, solubility and stability under recorded conditions
- LFA-1 interaction evidence and substance-level handling constraints
Out of scope
- Finished ophthalmic products, their containers, excipients and administration instructions
- Patient-specific diagnosis, prescribing and treatment decisions
- Dry eye disease as a clinical condition
- Manufacturing processes, facilities and their operational qualification
- LFA-1 and ICAM-1 as independently modeled biological entities
Why it exists Filled
Enable an agent to identify lifitegrast, assess the identity and quality of a material lot, and determine its suitability for a specified research or pharmaceutical use.
Distinguishing features Filled
- Match the complete molecular structure and specified S stereochemistry; a matching name or molecular formula alone cannot exclude another stereoisomer.
- Use C29H24Cl2N2O7S and molecular weight 615.5 g/mol as identity cross-checks for the parent substance, rather than applying them unchanged to salts or solvates.
- Distinguish the active substance from a lifitegrast ophthalmic solution: solution concentration, excipients and sterility describe the product.
- Require structure-based identification to distinguish lifitegrast from other dry-eye agents; shared therapeutic use or anti-inflammatory activity does not establish identity.
- Treat LFA-1 interaction as supporting functional evidence, not as a uniquely identifying chemical test.
What robots and AI may and may not do Filled
Must not
- Recommend, dose or adjust lifitegrast for a specific person.
- Suggest sharing eye drop containers between people.
- Present it as a cure for all causes of dry eye.
- Advise using it with contact lenses against the label instructions.
Only with a human decision
- Starting or changing a patient's eye treatment.
May
- Explain lifitegrast as an LFA-1 antagonist eye drop for dry eye disease, citing official labelling.
- Report approved use, warnings and side effects from the label.
Moral aspects Filled
- Eye conditions affect quality of life and independence.
- Medicine costs affect who can get treatment.
Who is affected
- Patients with dry eye
- Eye care professionals
- Pharmacists
Owners Filled
Steward
The prescriber and the pharmacist for each patient; medicines regulators authorize products.
Master systems
- National medicines registers
Links to other meta-models Filled
parent
- Q11173 - registry parent class
What else AI and robots need to interact with it Filled
Identity and identifiers required Filled
- Vercy registry: vr.tr.lifitegrast
- Wikidata: Q23044263 (https://www.wikidata.org/wiki/Q23044263)
Direct properties required Filled
- Molecular identity: Stereochemistry-explicit structure, formula C29H24Cl2N2O7S and verified identifier mappings
- Molecular weight: 615.5 g/mol for the parent substance
- Material form: Parent acid, identified salt, solvate or hydrate relationship; crystalline, amorphous or dissolved state
- Lifitegrast assay: % w/w with as-is, dried or anhydrous basis and analytical method
- Stereochemical purity: Specified stereoisomer percentage or enantiomeric excess, with chiral method
- Impurity burden: % or ppm by named impurity, including residual solvents, water and elemental impurities where applicable
- Conditional solubility: mg/mL or mol/L with solvent, pH, temperature, material form and equilibration method
- LFA-1 antagonism: Lifitegrast-LFA-1 binding and LFA-1-ICAM-1 inhibition evidence, linked to assay conditions
- Lot disposition: Unassessed, quarantined, released for specified use, rejected or retest due
Recognition required Filled
- Identified by product label, active ingredient name and pack details rather than by appearance alone.
Capabilities and actions required Filled
- Resolve a supplier label or substance identifier to lifitegrast and flag material-form mismatches.
- Compare a lot certificate and analytical results with the specification for a stated use.
- Calculate parent-substance equivalents using assay, water content and chemical-form corrections.
- Assess whether proposed dissolution and storage conditions are supported by measured evidence.
- Compare LFA-1 activity results only after reconciling assay conditions and concentration bases.
- Link qualified substance lots to downstream products while preserving the distinction between API quality and finished-product release.
Hazards and failure modes required Filled
- Eye irritation and blurred vision after use.
- Taste disturbance.
- Contamination of shared or reused containers.
Standards and interfaces required Filled
- The Anatomical Therapeutic Chemical classification maintained by the WHO Collaborating Centre for Drug Statistics Methodology assigns lifitegrast code S01XA25 within other ophthalmologicals.
Context of use required Filled
- Lifitegrast is encountered in ophthalmic drug research and pharmaceutical development involving inflammation associated with dry eye disease.
- It is used to study inhibition of the interaction between LFA-1 and ICAM-1 and the resulting effects on immune cell activity.
- Material lots are evaluated in analytical, formulation and quality-control settings for their intended research or pharmaceutical use.
Sources Filled
- Wikidata item Q23044263: lifitegrast - identity and sense of the item
- Wikipedia: Lifitegrast - general description of the item
Open questions
- Which CAS, PubChem, UNII and EC records consistently identify the parent stereochemical structure, and which instead identify related forms?
- Which solid forms, melting or decomposition measurements, pKa values and pH-dependent solubility data are supported by primary measurements?
- What validated impurity specifications and stereochemical limits apply to lifitegrast intended for pharmaceutical manufacture?
- What bulk-material stability data support storage conditions, retest periods and prepared-solution hold times?
- Which jurisdiction-specific GHS classifications, occupational exposure controls and environmental disposal requirements are substantiated for bulk lifitegrast?
Machine files
Provenance
thing registry research (pass 2) · unreviewed
Built from: models/things/publications/thing-q23044263/spec.json