236747-79-8

Basic information

• Product Name: methyl 2-(4-(2-methyl-1H-indol-5-yl)phenyl)propanoate
• Synonyms: methyl 2-(4-(2-methyl-1H-indol-5-yl)phenyl)propanoate
• CAS NO: 236747-79-8
• Molecular Weight: 293.365
• Mol File: 236747-79-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: methyl 2-(4-(2-methyl-1H-indol-5-yl)phenyl)propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-(4-(2-methyl-1H-indol-5-yl)phenyl)propanoate(236747-79-8)
• EPA Substance Registry System: methyl 2-(4-(2-methyl-1H-indol-5-yl)phenyl)propanoate(236747-79-8)

Safety Data

• Hazardous Substances Data: 236747-79-8(Hazardous Substances Data)

Upstream product

• 1075-34-9 5-bromo-2-methyl-1H-indole 
• 83636-46-8 methyl 2-(4-bromophenyl)propanoate 
• 236747-82-3 methyl 2-{4-[2-methyl-3-(phenylthio)-1H-5-indolyl]phenyl}propanoate 

Relevant articles and documents

BIARYL-ACETIC ACID DERIVATIVES AND THEIR USE AS COX-2 INHIBITORS

The present invention relates to inhibitors of COX-2, compositions which contain such compounds and methods of use. The compounds are represented by formula I: and include pharmaceutically acceptable salts and esters thereof.

Structure-based design of COX-2 selectivity into flurbiprofen

Comparative computer modeling of the X-ray crystal structures of cyclooxygenase isoforms COX-1 and COX-2 has led to the design of COX-2 selectivity into the nonselective inhibitor flurbiprofen. The COX-2 modeling was based on a postulated binding mode for flurbiprofen and took advantage of a small alcove in the COX-2 active site created by different positions of the Leu384 sidechain between COX-1 and COX-2. The design hypothesis was tested by synthesis and biological assay of a series of flurbiprofen analogs, culminating in the discovery of several inhibitors having up to 78-fold selectivity for COX-2 over COX-1.