1443019-08-6

Basic information

• Product Name: cis-4-[([1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-methyl]-cyclohexanecarboxylic acid
• Synonyms: cis-4-[([1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-methyl]-cyclohexanecarboxylic acid
• CAS NO: 1443019-08-6
• Molecular Weight: 564.679
• Mol File: 1443019-08-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: cis-4-[([1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-methyl]-cyclohexanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: cis-4-[([1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-methyl]-cyclohexanecarboxylic acid(1443019-08-6)
• EPA Substance Registry System: cis-4-[([1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-methyl]-cyclohexanecarboxylic acid(1443019-08-6)

Safety Data

• Hazardous Substances Data: 1443019-08-6(Hazardous Substances Data)

Upstream product

• 90843-31-5 1-(2,3-dihydrobenzofuran-5-yl)ethanone 
• 7149-10-2 vanillylamine hydrochloride 
• 55943-72-1 N-(2-bromoethyl)-succinimide 
• 121-33-5 vanillin 
• 130972-89-3 (4-hydroxy-3-methoxybenzyl)carbamic acid tert-butyl ester 
• 1443021-68-8 1-{2-[4-({[1-(2,3-dihydrobenzofuran-5-yl)ethyl]amino}methyl)-2-methoxyphenoxy]ethyl}pyrrolidine-2,5-dione 
• 1443021-37-1 4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzaldehyde 

Relevant articles and documents

I. Discovery of a novel series of CXCR3 antagonists. Multiparametric optimization of N,N-disubstituted benzylamines

N,N-Disubstituted benzylamine derivatives have been identified as CXCR3 antagonists. Compounds were optimized to improve affinity and selectivity, to increase metabolic stability in human and mouse liver microsomes, to increase Caco-2 permeability. Optimization was supported by monitoring physico-chemical properties using both experimental and computational means. Several compounds with double-digit nanomolar CXCR3 affinity, favorable selectivity, microsomal stability, Caco-2 permeability and human hepatocyte clearance have been identified.