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Tentative identification of in vitro metabolites of O-acetylpsilocin (psilacetin, 4-AcO-DMT) by UHPLC-Q-Orbitrap MS.
Zhai, Wenya; Li, Le; Zhao, Junbo; Xiang, Ping; Liu, Mengxi; Shi, Yan; Dang, Yonghui.
Afiliação
  • Zhai W; College of Medicine and Forensics, Xi'an Jiaotong University Health Science Center, Xi'an, China.
  • Li L; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
  • Zhao J; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
  • Xiang P; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
  • Liu M; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
  • Shi Y; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
  • Dang Y; Department of Forensic Toxicology, Shanghai Key Laboratory of Forensic Medicine, Shanghai Forensic Science Platform, Academy of Forensic Science, Shanghai, China.
Drug Test Anal ; 14(7): 1300-1309, 2022 Jul.
Article em En | MEDLINE | ID: mdl-35312166
4-Acetoxy-N,N-dimethyltryptamine (4-AcO-DMT, psilacetin, O-acetylpsilocin) is a synthetic tryptamine with psychedelic properties. Psilacetin may also act as precursor drug of psilocin, similar to psilocybin, but little is known about its metabolism. In this study, the phase I and phase II in vitro metabolism of 4-AcO-DMT was investigated with pooled human liver microsomes, and the reaction mixture was analyzed using liquid chromatography-quadrupole/electrostatic field orbitrap mass spectrometry. Fifteen metabolites were formed after incubation of pooled human liver microsomes with 4-AcO-DMT (12 phase I metabolites and 3 phase II metabolites). The proposed metabolite structures were based on accurate mass analysis and MS/MS fragmentation patterns. The biotransformations included hydrolysis, hydroxylation, N-demethylation, oxidation, and conjugation with glucuronic acid. The hydrolysis metabolite was the most abundant compound. For the development of new methods for the identification of 4-AcO-DMT consumption, the beta-hydroxylation metabolite of 4-AcO-DMT (M2-1) is recommended as a biomarker. The data reported in this work might be applicable to metabolic transformation of 4-AcO-DMT in vivo and also forensically helpful.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Microssomos Hepáticos / Espectrometria de Massas em Tandem Tipo de estudo: Diagnostic_studies Limite: Humans Idioma: En Revista: Drug Test Anal Assunto da revista: FARMACOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China País de publicação: Reino Unido

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Microssomos Hepáticos / Espectrometria de Massas em Tandem Tipo de estudo: Diagnostic_studies Limite: Humans Idioma: En Revista: Drug Test Anal Assunto da revista: FARMACOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: China País de publicação: Reino Unido