1208331-92-3

Basic information

• Product Name: (E)-ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)acrylate
• Synonyms: (E)-ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)acrylate
• CAS NO: 1208331-92-3
• Molecular Weight: 453.335
• Mol File: 1208331-92-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)acrylate(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)acrylate(1208331-92-3)
• EPA Substance Registry System: (E)-ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)acrylate(1208331-92-3)

Safety Data

• Hazardous Substances Data: 1208331-92-3(Hazardous Substances Data)

Upstream product

• 1975-53-7 4-Cyano-2-methylbenzoic acid 
• 103261-67-2 4-cyano-2-methylbenzoic acid methyl ester 
• 99548-55-7 4-bromo-2-methyl-benzoic acid methyl ester 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 1208331-50-3 ethyl 2-(4-cyano-2-methylbenzoyl)-4-oxobutanoate 
• 1208331-48-9 ethyl 2-(4-cyano-2-methylbenzoyl)pent-4-enoate 
• 1208331-46-7 ethyl 3-(4-cyano-2-methylphenyl)-3-oxopropanoate 
• 1161274-19-6 4-cyano-2-methylbenzoyl chloride 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 

Downstream Products

• 1208331-82-1 ethyl 3-(1-(4-bromophenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)propanoate 
• 1208330-87-3 ethyl 3-(1-(4-(1H-imidazol-1-yl)phenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)propanoate 
• 1208329-98-9 3-(1-(4-(1H-imidazol-1-yl)phenyl)-2-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-3-yl)propanoic acid 

Relevant articles and documents

Structure-activity relationships of pyrrole based S-nitrosoglutathione reductase inhibitors: Pyrrole regioisomers and propionic acid replacement

S-Nitrosoglutathione reductase (GSNOR) is a member of the alcohol dehydrogenase family (ADH) that regulates the levels of S-nitrosothiols (SNOs) through catabolism of S-nitrosoglutathione (GSNO). GSNO and SNOs are implicated in the pathogenesis of many diseases including those in respiratory, cardiovascular, and gastrointestinal systems. The pyrrole based N6022 was recently identified as a potent, selective, reversible, and efficacious GSNOR inhibitor which is currently undergoing clinical development. We describe here the synthesis and structure-activity relationships (SAR) of novel pyrrole based analogues of N6022 focusing on scaffold modification and propionic acid replacement. We identified equally potent and novel GSNOR inhibitors having pyrrole regioisomers as scaffolds using a structure based approach.