<abstract xmlns="http://www.w3.org/1999/xhtml"><p><bold>Aim.</bold> The purpose of this study is to reveal the determination of the structure of the main metabolite of morpholinium 2-(4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4<italic>H-</italic>1,2,4-triazole-3-yl)thio)acetate (an active pharmaceutical ingredient – API) by way of chromatography through mass spectrometry detection, utilizing the liquid chromatography system Agilent 1260 Infinity and mass spectrometry detector (single quadrupole detector Agilent 6120). In the work, the graph of the change in the area of the peak of the metabolite from time after the introduction of the API solution was constructed. Moreover, the charges on the atoms of 2-((4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4<italic>H-</italic>1,2,4-triazol-3-yl)thio) acetate were calculated and the structure of the methyl derivative was proposed. We saw that the methylation of the active substance during metabolism formed a 5-((carboxymethyl)thio)-4-(2-methoxyphenyl)-1-methyl-3-(pyridin-4-yl)-4<italic>H-</italic>1,2,4-triazol-1-um cation through N-methyltransferase.</p></abstract>

Aim. The purpose of this study is to reveal the determination of the structure of the main metabolite of morpholinium 2-(4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-yl)thio)acetate (an active pharmaceutical ingredient – API) by way of chromatography through mass spectrometry detection, utilizing the liquid chromatography system Agilent 1260 Infinity and mass spectrometry detector (single quadrupole detector Agilent 6120). In the work, the graph of the change in the area of the peak of the metabolite from time after the introduction of the API solution was constructed. Moreover, the charges on the atoms of 2-((4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio) acetate were calculated and the structure of the methyl derivative was proposed. We saw that the methylation of the active substance during metabolism formed a 5-((carboxymethyl)thio)-4-(2-methoxyphenyl)-1-methyl-3-(pyridin-4-yl)-4H-1,2,4-triazol-1-um cation through N-methyltransferase.

Metabolism study of morpholinium 2- ((4- (2-methoxyphenyl)-5-(pyridin-4-yl) -4<italic>H</italic>-1,2,4-triazole-3-yl)thio) acetate

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Metabolism study of morpholinium 2- ((4- (2-methoxyphenyl)-5-(pyridin-4-yl) -4-1,2,4-triazole-3-yl)thio) acetate

Aim. The purpose of this study is to reveal the determination of the structure of the main metabolite of morpholinium...

Metabolism study of morpholinium 2- ((4- (2-methoxyphenyl)-5-(pyridin-4-yl) -4H-1,2,4-triazole-3-yl)thio) acetate

Published Online: Jun 25, 2020

Page range: 72 - 75

Received: Jun 01, 2019

Accepted: Aug 02, 2019

DOI: https://doi.org/10.2478/cipms-2020-0014

Keywords
1, 2, 4-triazole, metabolism, liquid chromatography, mass spectrometry

© 2020 Borys Varynskyi et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Metabolism study of morpholinium 2- ((4- (2-methoxyphenyl)-5-(pyridin-4-yl) -4H-1,2,4-triazole-3-yl)thio) acetate

Published Online: Jun 25, 2020

Page range: 72 - 75

Received: Jun 01, 2019

Accepted: Aug 02, 2019

DOI: https://doi.org/10.2478/cipms-2020-0014

Keywords1, 2, 4-triazole, metabolism, liquid chromatography, mass spectrometry

© 2020 Borys Varynskyi et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

Keywords
1, 2, 4-triazole, metabolism, liquid chromatography, mass spectrometry