1226176-50-6

Basic information

• Product Name: 3-ethyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
• CAS NO: 1226176-50-6
• Molecular Weight: 201.271
• Mol File: 1226176-50-6.mol

Chemical Properties

• CAS DataBase Reference: 3-ethyl-1-(2-methylphenyl)-1H-pyrazol-5-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-ethyl-1-(2-methylphenyl)-1H-pyrazol-5-amine(1226176-50-6)
• EPA Substance Registry System: 3-ethyl-1-(2-methylphenyl)-1H-pyrazol-5-amine(1226176-50-6)

Safety Data

• Hazardous Substances Data: 1226176-50-6(Hazardous Substances Data)

Upstream product

• 33279-01-5 3-oxo-pentanenitrile 
• 529-27-1 2-methylphenylhydrazine 

Relevant articles and documents

Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: Role of the chirality on the biological activity

An asymmetric synthetic strategy was designed for the preparation of the four possible diastereoisomers of 3,6-dimethyl-1-(2-methylphenyl)-4-(4- phenoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one, a non-steroidal FXR agonist, we recently discovered following a virtual screening approach. The results obtained from an AlphaScreen assay clearly demonstrated that only the isomer endowed with 4R,6S absolute configuration is responsible for the biological activity. A deep investigation of the different putative binding modes adopted by these enantiomerically pure ligands using computational modeling studies confirmed the enantioselectivity of FXR towards this class of molecules.