In vitro, in vivo and in silico metabolic profiling of -pyrrolidinopentiothiophenone, a novel thiophene stimulant

被引：41
|
作者：
Swortwood, Madeleine J. [1 ]
Carlier, Jeremy [1 ]
Ellefsen, Kayla N. [1 ,2 ]
Wohlfarth, Ariane [1 ,3 ]
Diao, Xingxing [1 ]
Concheiro-Guisan, Marta [1 ,4 ]
Kronstrand, Robert [5 ,6 ]
Huestis, Marilyn A. [1 ]
机构：
[1] NIDA, Chem & Drug Metab, Intramural Res Program, NIH, Baltimore, MD 21224 USA
[2] Univ Maryland, Toxicol Program, Baltimore, MD 21201 USA
[3] Natl Board Forens Med, Linkoping, Sweden
[4] CUNY John Jay Coll Criminal Justice, Dept Sci, New York, NY 10019 USA
[5] Natl Board Forens Med, Dept Forens Genet & Forens Toxicol, Linkoping, Sweden
[6] Linkoping Univ, Fac Hlth Sci, Dept Med & Hlth Sci, Linkoping, Sweden
来源：
BIOANALYSIS | 2016年 / 8卷 / 01期
基金：
美国国家卫生研究院;
关键词：
alpha-PVT; hepatocytes; high-resolution MS; metabolism; novel psychoactive substances; synthetic cathinone; DRUG ALPHA-PYRROLIDINOVALEROPHENONE; DESIGNER DRUG; TOXICOLOGICAL DETECTION; BATH SALTS; SYNTHETIC CATHINONES; MASS-SPECTROMETRY; HUMAN HEPATOCYTES; ADB-FUBINACA; URINE; IDENTIFICATION;
D O I：
10.4155/bio.15.237
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
Background: Little or no pharmacological or toxicological data are available for novel psychoactive substances when they first emerge, making their identification and interpretation in biological matrices challenging. Materials & methods: A new synthetic cathinone, alpha-pyrrolidinopentiothiophenone (alpha-PVT), was incubated with hepatocytes and samples were analyzed using liquid chromatography coupled to a Q Exactive(TM) Orbitrap mass spectrometer. Authentic urine specimens from suspected -PVT cases were also analyzed. Scans were data mined with Compound Discoverer for identification and structural elucidation of metabolites. Results/conclusion: Seven alpha-PVT metabolites were identified in hepatocyte incubations, and in the authentic urine samples, also with an additional monohydroxylated product and a glucuronide of low intensity. alpha-PVT dihydroxypyrrolidinyl, alpha-PVT 2-ketopyrrolidinyl, alpha-PVT hydroxythiophenyl and alpha-PVT thiophenol had the most intense in vivo signals.
引用
收藏
页码：65 / 82
页数：18
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