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Chemical structure of I-287

GC73145

I-287

Also known as 6-[4-[7-tert-butyl-5-(4-chloro-3-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-3-carboxylic acid

I-287 is a orally active selective PAR2 inhibitor that acting as a negative allosteric regulator on Gαq and Gα12/13 activity and their downstream effectors

ChemicalCAS2014368-93-3MW565.04FormulaC30H30ClFN4O4
CAS number
2014368-93-3
Molecular weight
565.04
Formula
C30H30ClFN4O4
Solubility
DMSO ： 100 mg/mL (176·98 mM; Need ultrasonic)
InChIKey
WPJYZCYPCSYODL-UHFFFAOYSA-N
Catalogue number
GC73145
Brand
GLPBIO
Computed properties PubChem CID 134296695 · XLogP 6.2 · TPSA 99.8 Ų · H-bond donors 1
XLogP
6.2
TPSA
99.8 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
40

SMILES CC1(CN(CCN1C(=O)C2=CC3=C(O2)C(=CC(=N3)C4=CC(=C(C=C4)Cl)F)C(C)(C)C)C5=NC=C(C=C5)C(=O)O)C

Computed descriptors from PubChem (CID 134296695), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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