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Chemical structure of Lifitegrast

GC19222

Lifitegrast

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

Lifitegrast is an integrin lymphocyte function-associated antigen-1 (LFA-1) antagonist; inhibits Jurkat T cell attachment to ICAM-1 with an IC50 of 2·98 nM

ChemicalCAS1025967-78-5MW615.48FormulaC29H24Cl2N2O7S
CAS number
1025967-78-5
Molecular weight
615.48
Formula
C29H24Cl2N2O7S
Solubility
DMSO ： ≥ 29 mg/mL (47·12 mM)
InChIKey
JFOZKMSJYSPYLN-QHCPKHFHSA-N
Catalogue number
GC19222
Brand
GLPBIO
Computed properties PubChem CID 11965427 · XLogP 4.7 · TPSA 142 Ų · H-bond donors 2
XLogP
4.7
TPSA
142 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41

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

Computed descriptors from PubChem (CID 11965427), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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