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Home/Compounds/CAS 1025967-78-5
Formula C29H24Cl2N2O7SMW 615.5Research-use catalog entryCOA/SDS by request

Lifitegrast

CAS Number: 1025967-78-5

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Loading RDKit molecule structure...
InChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-NC29H24Cl2N2O7S | MW 615.5

Chemical Absolute Identifiers

CAS Number

1025967-78-5

PubChem CID

11965427

Molecular Formula

C29H24Cl2N2O7S

Molecular Weight

615.5 g/mol

Exact Mass

614.068128

InChIKey

JFOZKMSJYSPYLN-QHCPKHFHSA-N

IUPAC Name

(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid

SMILES String

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Lifitegrast (CAS 1025967-78-5) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C29H24Cl2N2O7S and molecular weight 615. 50 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2

Homo sapiens · PROTEIN COMPLEX · 2 qualifying assays · 1 documents · best pChEMBL 8.05

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Lifitegrast

Names & Synonyms

XiidraSAR 1118L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-Phenylalanine, N-((2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-(2S)-2-(((2-(benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl)carbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid
Show all synonyms
lifitegrastum(2S)-2-((2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl)formamido)-3-(3-methanesulfonylphenyl)propanoic acid(2S)-2-((2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl)amino)-3-(3-methylsulfonylphenyl)propanoic acid(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid(2S)-2-{[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl]formamido}-3-(3-methanesulfonylphenyl)propanoic acidN-((2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-L-phenylalanineN-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine(S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acidN-[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl]-3-(methanesulfonyl)-L-phenylalanineLifitegrast(SAR 1118)Lifitegrast [USAN:INN]C29H24Cl2N2O7SXiidra (TN)Lifitegrast (Standard)
External Identifiers
EC NUMBER: 813-044-8DSSTOX SUBSTANCE ID: DTXSID60145345CHEMBL ID: CHEMBL2048028CHEBI ID: CHEBI:133023UNII: 038E5L962WDRUGBANK ID: DB11611KEGG ID: D10374METABOLOMICS WORKBENCH ID: 152743NCI THESAURUS CODE: C175726RXCUI: 1801820WIKIDATA ID: Q23044263
Literature & Patent References
DOI 10.1021/ml2002482Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye.PMID 24900456Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Benzyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoateCAS 1194550-67-8
benzyl (2S)-2-((5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino)-3-(3-methylsulfonylphenyl)propanoate;hydrochlorideCAS 1194550-65-6
N-Boc-3-(methylsulfonyl)-L-phenylalanineCAS 1289646-76-9
N-Boc-3-(methylsulfonyl)-L-phenylalanine Benzyl EsterCAS 1289646-78-1
5,7-Dichloro-2-trityl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acidCAS 1194550-56-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1194550-67-8Benzyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoateCAS 1194550-65-6benzyl (2S)-2-((5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)amino)-3-(3-methylsulfonylphenyl)propanoate;hydrochlorideCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 1025967-78-5

What are the key identifiers for Lifitegrast (CAS 1025967-78-5)?

Lifitegrast is identified by CAS 1025967-78-5, with molecular formula C29H24Cl2N2O7S, molecular weight 615.5, InChIKey JFOZKMSJYSPYLN-QHCPKHFHSA-N.

Does CAS 1025967-78-5 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1025967-78-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Lifitegrast?

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Is CAS 1025967-78-5 available for quotation?

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