Description:
Lifitegrast is a Lymphocyte Function-Associated Antigen-1 (LFA-1) antagonist. It is used for the treatment of keratoconjunctivitis sicca (dry eye syndrome). It inhibits T cell-mediated inflammation by blocking the binding of two important cell surface proteins, thus lessening overall inflammatory responses. It was initially developed by SARcode Bioscience, which was acquired by Shire in 2013.
- Molecular Weight: 615.48
- Molecular Formula: C29H24Cl2N2O7S
Purity: >98%
Canonical SMILES:
CS(=O)(=O)C1=CC=CC(=C1)CC(C(=O)O)NC(=O)C2=C(C=C3CN(CCC3=C2Cl)C(=O)C4=CC5=C(C=C4)C=CO5)Cl
InChI:
InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
InChIKey: JFOZKMSJYSPYLN-QHCPKHFHSA-N
- Boiling Point: 811.9±65.0 °C at 760 mmHg
- Solubility: 10 mM in DMSO.
- Appearance: Solid Powder
- Storage: Store at -20°C
Synonyms:
SAR-1118; SAR 1118; SAR1118; Xiidra; L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-; N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine; (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid; (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid
More details are to be found on supplier website
