116834-15-2

Basic information

• Product Name: 2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile
• Synonyms: 2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile
• CAS NO: 116834-15-2
• Molecular Weight: 282.732
• Mol File: 116834-15-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile(116834-15-2)
• EPA Substance Registry System: 2-[1-(4-chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]acetonitrile(116834-15-2)

Safety Data

• Hazardous Substances Data: 116834-15-2(Hazardous Substances Data)

Upstream product

• 13435-20-6 tetraethylammoniumcyanide 
• 116834-13-0 4-Chloromethyl-1-(4-chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazole 
• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 1282531-91-2 2-[5-amino-1-(4-chlorophenyl)-1H-pyrazol-4-yl]acetonitrile 
• 116834-06-1 1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazole-4-carboxylic acid ethyl ester 
• 116834-11-8 [1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-methanol 
• 14678-87-6 ethyl 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate 

Downstream Products

• 116834-28-7 2-[1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-propionic acid 
• 116834-25-4 [1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-cyano-methyl-acetic acid ethyl ester 
• 116834-22-1 [1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-cyano-acetic acid ethyl ester 
• 116834-18-5 [1-(4-Chloro-phenyl)-5-pyrrol-1-yl-1H-pyrazol-4-yl]-acetic acid 

Relevant articles and documents

Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4- e ]pyrrolo[3,4- G ]indolizine-4,6(1 H,5 h)-diones as new glycogen synthase kinase-3β inhibitors

Compound 5 was selected from our in-house library as a suitable starting point for the rational design of new GSK-3β inhibitors. MC/FEP calculations of 5 led to the identication of a structural class of new GSK-3β inhibitors. Compound 18 inhibited GSK-3β with an IC50 of 0.24 μM and inhibited tau phosphorylation in a cell-based assay. It proved to be a selective inhibitor of GSK-3 against a panel of 17 kinases and showed >10-fold selectivity against CDK2. Calculated physicochemical properties and Volsurf predictions suggested that compound 18 has the potential to diffuse passively across the blood-brain barrier.