Products 1025967-78-5

CAS 1025967-78-5 appears in our catalog under these names: Lifitegrast, Lifitegrast, >95% (HPLC), Lifitegrast/ 99.4% (existing batch purity), Lifitegrast 97%, (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid, 97%, 97%. Offered by: GLPBio, Chemat Brand, TRC, Mikromol, TargetMol. Available pack sizes: 5mg, on request, 10mg, 250mg, 25mg, 50mg, 100mg, 500mg.

Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC29H24Cl2N2O7S
Molecular weight615.5 g/mol
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
InChIKeyJFOZKMSJYSPYLN-QHCPKHFHSA-N
SMILESCS(=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

Computed by PubChem (NCBI)