SCH79797 dihydrochloride, PAR1 antagonist

Key facts

CAS number

245520-69-8

Purity

>98%

Form

Solid

form

Molecular weight

444.4 Da

Molecular formula

C₂₃H₂₇Cl₂N₅

PubChem

45073452

Nature

Synthetic

Solubility

Soluble in DMSO to 50 mM

Soluble in ethanol to 10 mM

Biochemical name

SCH 79797 dihydrochloride

Biological description

Potent and selective non-peptide Proteinase-Activated Receptor-1 (PAR1) antagonist (IC50 = 70 nM). Protects against ischemic injury. Additionally induces apoptosis and inhibits cell proliferation.

Canonical smiles

CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl

InChi

InChI=1S/C23H25N5.2ClH/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17;;/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27);2*1H

InChiKey

NNJTXSQXGHYXAJ-UHFFFAOYSA-N

IUPAC Name

3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;dihydrochloride