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Chemical structure of P2Y1/P2Y12 antagonist-1

GC73238

P2Y1/P2Y12 antagonist-1

Also known as ethyl 2-(3-cyanophenyl)-3-[(4-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate

P2Y1/P2Y12 antagonist-1 (compound 24w) is an orally available dual inhibitor of P2Y1 and P2Y12 with antiplatelet activity

ChemicalCAS2738381-94-5MW386.4FormulaC22H18N4O3
CAS number
2738381-94-5
Molecular weight
386.4
Formula
C22H18N4O3
Solubility
DMSO ： 2 mg/mL (5·18 mM; ultrasonic and warming and heat to 60°C)
InChIKey
AQVZLXOFKCFLKL-UHFFFAOYSA-N
Catalogue number
GC73238
Brand
GLPBIO
Computed properties PubChem CID 162661404 · XLogP 4 · TPSA 101 Ų · H-bond donors 0
XLogP
4
TPSA
101 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

SMILES CCOC(=O)C1=C(N=C(N1OCC2=CC=C(C=C2)C#N)C3=CC=CC(=C3)C#N)C

Computed descriptors from PubChem (CID 162661404), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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