937653-09-3

Basic information

• Product Name: 3-(2,5-dimethyl-3-formyl-1H-pyrrol-1-yl)benzonitrile
• Synonyms: 3-(2,5-dimethyl-3-formyl-1H-pyrrol-1-yl)benzonitrile
• CAS NO: 937653-09-3
• Molecular Weight: 224.262
• Mol File: 937653-09-3.mol

Chemical Properties

• CAS DataBase Reference: 3-(2,5-dimethyl-3-formyl-1H-pyrrol-1-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,5-dimethyl-3-formyl-1H-pyrrol-1-yl)benzonitrile(937653-09-3)
• EPA Substance Registry System: 3-(2,5-dimethyl-3-formyl-1H-pyrrol-1-yl)benzonitrile(937653-09-3)

Safety Data

• Hazardous Substances Data: 937653-09-3(Hazardous Substances Data)

Upstream product

• 204142-42-7 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile 
• 68-12-2 N,N-dimethyl-formamide 
• 110-13-4 2,5-hexanedione 
• 2237-30-1 m-cyanoaniline 

Downstream Products

• 1236915-86-8 2,5-dimethyl-1H-pyrrole-1-(3-(1H-tetrazol-5-yl)phenyl)-3-carbaldehyde 
• 1347754-84-0 5-(3-(3-(2,2-dicyanovinyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-1H-tetrazole 
• 1347754-89-5 5-(3-(3-(2-cyano-2-ethoxycarbonylvinyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-1H-tetrazole 
• 1347754-91-9 5-(3-(3-(2,2-diethoxycarbonylvinyl)-2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-1H-tetrazole 

Relevant articles and documents

Design, synthesis and biological evaluation of 3-substituted 2,5-dimethyl-N-(3-(1H-tetrazol-5-yl)phenyl)pyrroles as novel potential HIV-1 gp41 inhibitors

Based on the structure of HIV-1 gp41 binding site for small-molecule inhibitors, optimization of lead 2 resulted in the discovery of a new series of 2,5-dimethyl-3-(5-(N-phenylrhodaninyl)methylene)-N-(3-(1H-tetrazol-5-yl)phenyl) pyrrole compounds with improved anti-HIV-1 activity. The most active compounds 13a and 13j exhibited significant potency against gp41 6-HB formation with IC50 values of 4.4 and 4.6 μM and against HIV-1 replication in the MT-2 cells with EC50 values of 3.2 and 2.2 μM, respectively, thus providing a new starting point to develop highly potent small-molecule HIV fusion inhibitors targeting gp41.