Role of cytochrome P450 enzymes in fimasartan metabolism in vitro was written by Choi, Young Jae;Lee, Ji-Yoon;Ryu, Chang Seon;Chi, Yong Ha;Paik, Soo Heui;Kim, Sang Kyum. And the article was included in Food and Chemical Toxicology in 2018.Computed Properties of C6H6N4 This article mentions the following:
Fimasartan (FMS), an angiotensin II receptor antagonist, is metabolized to FMS S-oxide, FMS N-glucuronide, oxidative desulfurized FMS (BR-A-557), and hydroxy-Bu FMSs. The purpose of this study was to characterize enzymes involved in NADPH-dependent FMS metabolism using recombinant enzymes such as cytochrome P 450 (CYP) and flavin-containing monooxygenase (FMO), as well as selective chem. inhibitors. The results showed that CYP, but not FMO, plays a major role in FMS metabolism CYP2C9, CYP3A4, and CYP3A5 were involved in the formation of FMS S-oxide, which was further metabolized to BR-A-557 by CYP3A4/5. CYP2C9 played an exclusive role in Bu hydroxylation. The specificity constant (kcat/Km) values for S-oxidation by CYP2C9, CYP3A4, and CYP3A5 were 0.21, 0.34, and 0.19μM-1•min-1, resp. The kcat/Km values of hydroxylation at the 1-, 2-/3-, and 4-Bu group in CYP2C9 were 0.0076, 0.041, and 0.035μM-1•min-1, resp. The kcat and Km values provide information for the prediction of FMS metabolism in vivo. In addition, simultaneous determination of the FMS metabolites may be used to evaluate CYP2C9 and CYP3A4/5 activity. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Computed Properties of C6H6N4).
1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents.Triazole heterocyclic structures are found to form many weak nonbond interactions with the receptors and enzymes in biological systems.Computed Properties of C6H6N4
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics