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http://dx.doi.org/10.5478/MSL.2018.9.3.86

In vitro Metabolism of Methallylescaline in Human Hepatocytes Using Liquid Chromatography-High Resolution Mass Spectrometry  

Kim, Sunjoo (BK21 PLUS Team for Creative Leader Program for Pharmacomics-based Future Pharmacy, College of Pharmacy, The Catholic University of Korea)
Kim, Ju-Hyun (College of Pharmacy, Yeungnam University)
Kim, Dong Kyun (BK21 PLUS Team for Creative Leader Program for Pharmacomics-based Future Pharmacy, College of Pharmacy, The Catholic University of Korea)
Lee, Jaesin (National Forensic Service)
In, Sangwhan (National Forensic Service)
Lee, Hye Suk (BK21 PLUS Team for Creative Leader Program for Pharmacomics-based Future Pharmacy, College of Pharmacy, The Catholic University of Korea)
Publication Information
Mass Spectrometry Letters / v.9, no.3, 2018 , pp. 86-90 More about this Journal
Abstract
Methallylescaline, 2-(3,5-dimethoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl)ethanamine, is a new psychoactive substance with potent agonist of 5-HT receptor, but there is little information on its pharmacological effect, metabolism, and toxicity. It is necessary to characterize the metabolic profiling of methallylescaline in human hepatocytes using liquid chromatography-high resolution mass spectrometry. Methallylescaline was metabolized to three hydroxy-methallylescaline (M1-M3) and dihydroxy-methallylescaline (M4) via hydroxylation in human hepatocytes. CYP2D6, CYP2J2, CYP1A2, and CYP3A4 enzymes were responsible for the metabolism of methallylescaline. The metabolites as well as methallylescaline would be used for monitoring the abuse of methallylescaline.
Keywords
methallylescaline; in vitro metabolism; liquid chromatography-high resolution mass spectrometry;
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