In vitro, in vivo and in silico metabolic profiling of α-pyrrolidinopentiothiophenone, a novel thiophene stimulant. (January 2016)

• Record Type: Journal Article
• Authors: Swortwood, Madeleine J; Carlier, Jeremy; Ellefsen, Kayla N; Wohlfarth, Ariane; Diao, Xingxing; Concheiro-Guisan, Marta; Kronstrand, Robert; Huestis, Marilyn A
• Is Part Of: Bioanalysis. Volume 8:Number 1(2016)
• Page Start: 65
• Page End: 82
• Publication Date: 2016-01
• Subjects: α-PVT -- hepatocytes -- high-resolution MS -- metabolism -- novel psychoactive substances -- synthetic cathinone; Drugs -- Analysis -- Periodicals; 615.19005
• DOI: 10.4155/bio.15.237
• Languages: English
• ISSNs: 1757-6180

Abstract

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, α-pyrrolidinopentiothiophenone (α-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 α-PVT cases were also analyzed. Scans were data mined with Compound Discoverer™ for identification and structural elucidation of metabolites.Results/conclusion: Seven α-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. α-PVT dihydroxypyrrolidinyl, α-PVT 2-ketopyrrolidinyl, α-PVT hydroxythiophenyl and α-PVT thiophenol had the most intense in vivo signals.