649569-72-2

Basic information

• Product Name: Propanedioic acid, [[5-(4-methylphenyl)-3-thienyl]methyl]-, diethyl ester
• CAS NO: 649569-72-2
• Molecular Formula: C19H22O4S
• Molecular Weight: 346.447
• Mol File: 649569-72-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Propanedioic acid, [[5-(4-methylphenyl)-3-thienyl]methyl]-, diethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, [[5-(4-methylphenyl)-3-thienyl]methyl]-, diethyl ester(649569-72-2)
• EPA Substance Registry System: Propanedioic acid, [[5-(4-methylphenyl)-3-thienyl]methyl]-, diethyl ester(649569-72-2)

Safety Data

• Hazardous Substances Data: 649569-72-2(Hazardous Substances Data)

Upstream product

• 101973-77-7 Esonarimod 
• 105-53-3 diethyl malonate 
• 649569-67-5 4-chloromethyl-2-p-tolyl-thiophene 

Downstream Products

• 194142-13-7 3-(5-p-tolyl-thiophen-3-yl)-propionic acid ethyl ester 

Relevant articles and documents

Synthesis and structure-activity relationships of 5-phenylthiophenecarboxylic acid derivatives as antirheumatic agents

5-(Phenylthiophene)-3-carboxylic acid (2a), a metabolite of esonarimod (1), which was developed as a new antirheumatic drug, was considered as a lead compound for new antirheumatic drugs. A new series of 2a derivatives were synthesized and their characteristic pharmacological effects, that is their antagonistic effect toward interleukin (IL)-1 in mice and the suppressive effect against adjuvant-induced arthritis (AIA) in rats, were evaluated and compared with those of 1. The structure-activity relationships indicated that [5-(4-bromophenyl)-thiophen-3-yl]acetic acid (5d), methyl [5-(4-chlorophenyl)-thiophen-3-yl]acetate (5h), and methyl [5-(4-bromophenyl)-thiophen-3-yl]acetate (5i) suppressed AIA more potently than 1 and all of the other synthesized compounds.