73372-63-1

Basic information

• Product Name: 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid
• CAS NO: 73372-63-1
• Molecular Formula: C₁₆H₁₄N₂O₆
• Molecular Weight: 330.2922
• Mol File: 73372-63-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 464.1°C at 760 mmHg
• Flash Point: 234.5°C
• Density: 1.36g/cm³
• Vapor Pressure: 2.07E-09mmHg at 25°C
• Refractive Index: 1.607
• CAS DataBase Reference: 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid(73372-63-1)
• EPA Substance Registry System: 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid(73372-63-1)

Safety Data

• Hazardous Substances Data: 73372-63-1(Hazardous Substances Data)

Upstream product

• 67035-22-7 nifedipine 
• 21829-25-4 nifedipine 

Relevant articles and documents

EX VIVO METHODS FOR PREDICTING AND CONFIRMING IN VIVO METABOLISM OF PHARMACEUTICALLY ACTIVE COMPOUNDS

Methods and compositions for the catalytic oxidation of pharmaceutically active compounds, and more particularly to ex vivo methods for predicting in vivo metabolism of pharmaceutically active compounds, including predicting in vivo interaction between two or more pharmaceutically active compounds.

Biotransformation of nifedipine in rat and dog

Following oral and/or intraduodenal administration, the biotransformation of 14C-labelled nifedipine (dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-pyridine-3,5-dicarboxylate, Bay a 1040, Adalat, CAS 21829-25-4) has been reinvestigated in rats and dogs (dose: 5 mg/kg body weight in both species) to complete the metabolic data. Thirteen metabolites were isolated from the perfusate and bile of the isolated perfused rat liver model. Their structures were elucidated by spectroscopic methods (FAB-MS, combined GG/MS, NMR). The analyzed samples were used for the chromatographic (HPLC) comparison with urine and bile from the in vivo studies. The metabolites identified in rat urine (oral dose) account for 47.4% of the dose administered. 82.8% (rat) and 62.8% (dog) of the dose, resp., could be attributed to known structures in urine and bile following intraduodenal administration. Based on the structures identified the following biotransformation steps occured: dehydrogenation of the 1,4-dihydropyridine system, hydroxylation of the methyl groups at 2- or 6-position followed by glucuronidation or by subsequent oxidation to the carboxylic acid, and oxidative ester cleavage.