ONO-RS-082, phospholipase A2 (PLA2) inhibitor

Key facts

CAS number

99754-06-0

Purity

>98%

Form

Solid

form

Molecular weight

371.9 Da

Molecular formula

C₂₁H₂₂ClNO₃

PubChem

6438389

Nature

Synthetic

Solubility

Soluble in DMSO to 50 mM (with warming)

Soluble in ethanol to 25 mM (with warming)

Biochemical name

2-(4-Amylcinnamoyl)amino-4-chlorobenzoic acid

Biological description

Potent, reversible PLA2 inhibitor (IC50 = 7 µM). Cell-permeable. Active in *ex vivo* preparations.

Canonical smiles

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric smiles

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChi

InChI=1S/C21H22ClNO3/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26)/b13-10+

InChiKey

MDVFITMPFHDRBZ-JLHYYAGUSA-N

IUPAC Name

4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid