API reference
Lifitegrast
- CAS number
- 1025967-78-5
- Molecular formula
- C29H24Cl2N2O7S
- Molecular weight
- 615.5 g/mol
About this molecule
Lifitegrast is an N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome). It has a role as a lymphocyte function-associated antigen-1 antagonist and an anti-inflammatory drug. It is a member of isoquinolines, a sulfone, a member of 1-benzofurans, a N-acyl-L-alpha-amino acid and a L-phenylalanine derivative.
Source: ChEBI, via PubChem.
Identifiers
- 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
- InChIKey
- JFOZKMSJYSPYLN-QHCPKHFHSA-N
- SMILES
- CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl
- PubChem CID
- 11965427
Also known as
Lifitegrast · Xiidra · SHP606 · SHP-606 · lifitegrastum · S01XA25 · C29H24Cl2N2O7S · Xiidra (TN)
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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