In vitro, in vivo and in silico metabolic profiling of -pyrrolidinopentiothiophenone, a novel thiophene stimulant
2016 (English)In: Bioanalysis, ISSN 1757-6180, E-ISSN 1757-6199, Vol. 8, no 1, 65-82 p.Article in journal (Refereed) PublishedText
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.
Place, publisher, year, edition, pages
FUTURE SCI LTD , 2016. Vol. 8, no 1, 65-82 p.
alpha-PVT; hepatocytes; high-resolution MS; metabolism; novel psychoactive substances; synthetic cathinone
IdentifiersURN: urn:nbn:se:liu:diva-124095DOI: 10.4155/bio.15.237ISI: 000367012500008PubMedID: 26648097OAI: oai:DiVA.org:liu-124095DiVA: diva2:897203
Funding Agencies|Intramural Research Program of the National Institute on Drug Abuse, National Institutes of Health2016-01-252016-01-192016-01-25