196707-75-2

Basic information

• Product Name: 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-, bis(2-cyclohexylethyl) ester
• CAS NO: 196707-75-2
• Molecular Formula: C₂₉H₄₂N₄O₆
• Molecular Weight: 542.667
• Mol File: 196707-75-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 700.414°C at 760 mmHg
• Flash Point: 377.397°C
• Density: 1.307g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.619
• CAS DataBase Reference: 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-, bis(2-cyclohexylethyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-, bis(2-cyclohexylethyl) ester(196707-75-2)
• EPA Substance Registry System: 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-, bis(2-cyclohexylethyl) ester(196707-75-2)

Safety Data

• Hazardous Substances Data: 196707-75-2(Hazardous Substances Data)

Upstream product

• 4442-79-9 cyclohexylethan-1-ol 
• 4750-57-6 1-methyl-5-nitro-1H-imidazole-2-carbaldehyde 
• 557112-27-3 cyclohexylethyl acetoacetate 

Relevant articles and documents

Synthesis and calcium-channel antagonist activity of nifedipine analogues containing nitroimidazolyl substituent in guinea-pig ileal smooth muscle

Alkyl, cycloalkyl or aryl ester analogues of nifedipine, in which the ortho-nitrophenyl group at position 4 is replaced by 1-methyl-5-nitro-2-imidazolyl substituent, were synthesized and evaluated as calcium-channel antagonists using the high K+ contraction of guinea-pig ileal longitudinal smooth muscle. The results for the symmetrical esters showed that increasing the length of methylene chain (n > 2) decreases activity. The relative activity profile for asymmetrical esters was cyclopentyl > cyclohexyl > cyclopropyl. Comparison of esters having the same methylene space showed that the cyclohexyl compounds were more active than the corresponding phenyl derivatives. In addition, asymmetrical esters possessing one R2 substituent (methyl > ethyl) indicated that increasing the length of methylene chain in the R1-substituent decreased activity. Our results demonstrate that several compounds were more active than the reference drug nifedipine. The symmetrical cyclohexyl ester (n = 0) and the asymmetrical (R1 = cyclohexyl, R2 = Me, n = 0) derivatives were the most potent antagonists tested.