122576-86-7

Basic information

• Product Name: ethyl 5-cyano-6-methyl-2-[(pyridin-4-ylsulfonyl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
• Synonyms: 3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro-6-methyl-2-((4-pyridinylsulfonyl)methyl)-4-(2-(trifluoromethyl)phenyl)-, ethyl ester, (+-)-; Ethyl 5-cyano-1,4-dihydro-6-methyl-2-((4-pyridinylsulfonyl)methyl)-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate
• CAS NO: 122576-86-7
• Molecular Formula: C₂₃H₂₀F₃N₃O₄S
• Molecular Weight: 491.4828
• Mol File: 122576-86-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 643.6°C at 760 mmHg
• Flash Point: 343.1°C
• Density: 1.42g/cm³
• Vapor Pressure: 1.85E-16mmHg at 25°C
• Refractive Index: 1.59
• CAS DataBase Reference: ethyl 5-cyano-6-methyl-2-[(pyridin-4-ylsulfonyl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 5-cyano-6-methyl-2-[(pyridin-4-ylsulfonyl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate(122576-86-7)
• EPA Substance Registry System: ethyl 5-cyano-6-methyl-2-[(pyridin-4-ylsulfonyl)methyl]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate(122576-86-7)

Safety Data

• Hazardous Substances Data: 122576-86-7(Hazardous Substances Data)

Upstream product

• 113982-14-2 2-Bromomethyl-5-cyano-6-methyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 113982-13-1 5-Cyano-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 134969-46-3 5-Cyano-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 
• 4556-23-4 pyridine-4-thiol 
• 107974-91-4 5-Cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 113982-14-2 2-Bromomethyl-5-cyano-6-methyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 113982-13-1 5-Cyano-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 134969-46-3 5-Cyano-2,6-dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid 
• 107974-91-4 5-Cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 
• 107975-76-8 ethyl 3-oxo-4-(4-pyridinylthio)butanoate 
• 638-07-3 ethyl (2-chloroaceto)acetate 
• 107974-91-4 5-Cyano-6-methyl-2-(pyridin-4-ylsulfanylmethyl)-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester 

Relevant articles and documents

Calcium channel blocking and positive inotropic activities of ethyl 5-cyano-1,4-dihydro-6-methyl-2-[(phenylsulfonyl)methyl]-4-aryl-3-pyrid ine-carboxylate and analogues. Synthesis and structure-activity relationships

The synthesis and pharmacological evaluation of a series of 2-[(arylsulfonyl)methyl]-4-aryl-5-cyano-1,4-dihydropyridine-3-carboxyl ic acid esters and analogues are described. These compounds possess a unique profile namely, calcium channel blocking and positive inotropic activities in vitro. Compound 54 was selected as the best compound in the series and was studied in detail. The synthesis and biological profiles of enantiomers of 54 are also reported. The data indicate that although the calcium channel blocking property of 54 is stereospecific the positive inotropic activity is not. Examples of 3- and 6-cyano and other closely related 1,4-dihydropyridine derivatives are described and evaluated for comparison and were found to be devoid of dual activities mentioned above.