BX471 hydrochloride

Base Information

• Chemical Name: BX471 hydrochloride
• CAS No.: 288262-96-4
• Molecular Formula: C21H25Cl2FN4O3
• Molecular Weight: 471.35
• UNII: L350B5LO1J
• DSSTox Substance ID: DTXSID50183019
• Wikidata: Q27282643
• Pharos Ligand ID: RXJPDFA98H8D
• ChEMBL ID: CHEMBL535607
• Mol file: 288262-96-4.mol

Synonyms:BX 471;BX-471;BX471;N-(5-chloro-2-(2-(4-((4-fluorophenyl)methyl)-2-methyl-1-piperazinyl)-2-oxoethoxy)phenyl)urea hydrochloric acid salt;urea, N-(5-chloro-2-(2-((2R)-4-((4-fluorophenyl)methyl)-2-methyl-1-piperazinyl)-2-oxoethoxy)phenyl)-;ZK-811752

Chemical Property of BX471 hydrochloride

Chemical Property:

• PSA: 88.89000
• LogP: 4.34600
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 470.1287742
• Heavy Atom Count: 31
• Complexity: 591

Purity/Quality:

99%+, ^*data from raw suppliers

BX471HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F.Cl
• Isomeric SMILES: C[C@@H]1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F.Cl
• Recent EU Clinical Trials: A multicenter, double-blind, randomized, placebo-controlled, parallel-group study to evaluate the safety, tolerability and efficacy of the CCR1 antagonist ZK 811752, given orally in a dose of 600 mg three times daily, for the treatment of endometriosis over 12 weeks