113994-38-0

Usage

Molecular structure

Contains two amino groups, an ethoxy group, a methyl group, and a chlorophenyl group.

Derivative

It is a derivative of pyridinedicarboxylic acid.

Additional group

Includes an additional ethyl ester group.

Potential applications

Has potential applications in pharmaceuticals, agrochemicals, and material science.

Functional groups

Diverse functional groups and structural features contribute to its potential applications.

Further research

More research and testing are needed to understand the full potential and implications of this chemical in various industries.

InChI:InChI=1/C19H21ClN2O5/c1-3-27-19(25)17-14(10-26-9-8-21)22-11(2)15(18(23)24)16(17)12-6-4-5-7-13(12)20/h4-7H,3,8-10,21H2,1-2H3,(H,23,24)

Upstream product

• 120289-19-2 4-(2-chlorophenyl)-5-(2-cyanoethoxycarbonyl)-3-ethoxycarbonyl-6-methyl-2-(2-phtalimidoethoxymethyl)pyridine 
• 89-98-5 2-chloro-benzaldehyde 
• 88150-75-8 ethyl 4-[2-(phthalimido)ethoxy]acetoacetate 
• 120300-92-7 4-(2-chlorophenyl)-5-(2-cyanoethoxycarbonyl)-3-ethoxycarbonyl-6-methyl-2-(2-phtalimidoethoxymethyl)-1,4-dihydropyridine 
• 88150-42-9 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine 

Relevant academic research and scientific papers

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 amlodipine. Identification and synthesis of metabolites found in rat, dog and human urine / confirmation of structures by gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry

Metabolism of the dihydropyridine calcium antagonist (R,S)-2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5 methoxycarbonyl-6-methyl-1,4-dihydropyridine (amlodipine) has been studied in animals and man using 14C-labelled drug. The metabolite patterns are complex; 18 metabolites have been isolated from rat, dog and human urine. Based on chromatographic and mass-spectral evidence, structures have been proposed for the main metabolites and confirmed by synthesis of unambiguous reference compounds.