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Chemical structure of LPA2 antagonist 2

GC38923

LPA2 antagonist 2

Also known as (E)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoic acid

LPA2 antagonist 2 (H2L 5226501) is a selective LPA2 antagonist with an IC50 of 28·3 nM and a Ki of 21·1 nM· LPA2 antagonist 2 is >480-fold more selective than LPA3 (IC50 of 13·85 μM)

ChemicalCAS36840-10-5MW380.35FormulaC20H16N2O6
CAS number
36840-10-5
Molecular weight
380.35
Formula
C20H16N2O6
Solubility
DMSO: 83·33 mg/mL (219·09 mM)
InChIKey
FTLRWRKPUWMOMS-WGDLNXRISA-N
Catalogue number
GC38923
Brand
GLPBIO
Computed properties PubChem CID 1105689 · XLogP 1.4 · TPSA 133 Ų · H-bond donors 4
XLogP
1.4
TPSA
133 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

SMILES C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O

Computed descriptors from PubChem (CID 1105689), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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