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Bioanalysis. 2016;8(1):65-82. doi: 10.4155/bio.15.237. Epub 2015 Dec 9.

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

Author information

1
Chemistry & Drug Metabolism, Intramural Research Program, National Institute on Drug Abuse, NIH, Baltimore, MD 21224, USA.
2
Program in Toxicology, University of Maryland Baltimore, Baltimore, MD 21201, USA.
3
National Board of Forensic Medicine, Linköping, Sweden.
4
Department of Sciences, John Jay College of Criminal Justice, City University of New York, New York, NY 10019, USA.
5
Department of Forensic Genetics & Forensic Toxicology, National Board of Forensic Medicine, Linköping, Sweden.
6
Department of Medical & Health Sciences, Faculty of Health Sciences, Linköping University, Linköping, Sweden.

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™ 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.

KEYWORDS:

hepatocytes; high-resolution MS; metabolism; novel psychoactive substances; synthetic cathinone; α-PVT

PMID:
26648097
PMCID:
PMC5493968
DOI:
10.4155/bio.15.237
[Indexed for MEDLINE]
Free PMC Article

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