1067186-56-4 | 2-(1-(4-Chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid

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Description

• Catalog Number: AV18524
• Chemical Name: 2-(1-(4-Chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid
• CAS Number: 1067186-56-4
• Molecular Formula: C20H13ClF3NO3
• Molecular Weight: 407.7703
• MDL Number: MFCD18782752
• SMILES: Clc1ccc(cc1)C1(CC1)c1nc2c(c(c1O)C(=O)O)cccc2C(F)(F)F

Computed Properties

• Complexity: 604
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 5.7

Literature

• Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.

  Journal of medicinal chemistry 20100826

• Prophylactic P-selectin inhibition with PSI-421 promotes resolution of venous thrombosis without anticoagulation.

  Thrombosis and haemostasis 20080201