Studies on the phase I metabolites of the new designer drug 1-(2,3-dihydro-1H-inden-5-yl)-2-(pyrrolidine-1-yl)butan-1-one (5-PPDI) in human urine

Ishii, Ayumu; Kusakabe, Kosuke; Kato, Noriyuki; Sasaki, Shin Ichi; Tsujikawa, Kenji; Wada, Takehiko

doi:10.1016/j.forsciint.2020.110214

Cited by 9 publications

(10 citation statements)

References 17 publications

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“…A study published in early 2020 describes the detection of parent 5‐PPDi, as well as the identification of phase I metabolites, in urine. Up to four metabolites were identified by LC–HRMS, and their structures confirmed after synthetizing the corresponding analytical reference standards 70 . Quantitative analysis resulted in 972 ng/ml for the major metabolite (indanyl‐hydroxylated metabolite) and 335 ng/ml for unaltered 5‐PPDi, the remaining metabolites being present at levels below 200 ng/ml 70 .…”

Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 96%

“…Up to four metabolites were identified by LC–HRMS, and their structures confirmed after synthetizing the corresponding analytical reference standards 70 . Quantitative analysis resulted in 972 ng/ml for the major metabolite (indanyl‐hydroxylated metabolite) and 335 ng/ml for unaltered 5‐PPDi, the remaining metabolites being present at levels below 200 ng/ml 70 . In the case of the metabolic fate observed for 5‐PPDi using pHH, 54 the parent compound was the major one found after 180 min of incubation, illustrating that some differences can be observed when comparing in vivo and in vitro data.…”

Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 99%

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The key role of mass spectrometry in comprehensive research on new psychoactive substances

Fabregat‐Safont¹,

Sancho²,

Hernández³

et al. 2020

J Mass Spectrom

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New psychoactive substances (NPS) are a wide group of compounds that try to mimic the effects produced by the ‘classical’ illicit drugs, including cannabis (synthetic cannabinoids), cocaine and amphetamines (synthetic cathinones) or heroin (synthetic opioids), and which health effects are still unknown for most of them. Nowadays, more than 700 compounds are being monitored by official organisms, some of which have been recently identified in seizures and/or intoxication cases. Toxicological analysis plays a pivotal role in NPS research. A comprehensive investigation on NPS, from the first identification of a novel substance until its detection in drug users to help in diagnostics and medical treatment, requires the use of a wide variety of instruments and analytical strategies. This paper illustrates the key role of mass spectrometry (MS) along a comprehensive investigation on NPS. The synthetic cannabinoid XLR‐11 and the synthetic cathinone 5‐PPDi have been chosen as representative substances of the most consumed NPS families. Moreover, both compounds have been investigated at our laboratory in different stages of the three‐step strategy considered in this article. The initial identification and characterisation of the compound in consumption products, the first reported metabolic pathway and the development of analytical methodologies for its determination (and/or their metabolites) in different toxicological samples are described. The analytical strategies and MS instruments are briefly discussed to show the reader the possibilities that MS instrumentation offer to analytical scientists. This publication aims to be a starting point for those interested on the NPS research field from an analytical chemistry point of view.

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Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 96%

Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 99%

The key role of mass spectrometry in comprehensive research on new psychoactive substances

Fabregat‐Safont¹,

Sancho²,

Hernández³

et al. 2020

J Mass Spectrom

View full text Add to dashboard Cite

show abstract

“…A study published in early 2020 describes the detection of parent 5-PPDi, as well as the identification of phase I metabolites, in urine. Up to 4 metabolites were identified by LC-HRMS, and their structures confirmed after synthetizing the corresponding analytical reference standards 70 . Quantitative analysis resulted in 972 ng/mL for the major metabolite (indanyl-hydroxylated metabolite) and 335 ng/mL for unaltered 5-PPDi, the remaining metabolites being present at levels below 200 ng/mL 70 .…”

Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 99%

“…Up to 4 metabolites were identified by LC-HRMS, and their structures confirmed after synthetizing the corresponding analytical reference standards 70 . Quantitative analysis resulted in 972 ng/mL for the major metabolite (indanyl-hydroxylated metabolite) and 335 ng/mL for unaltered 5-PPDi, the remaining metabolites being present at levels below 200 ng/mL 70 . In the case of the metabolic fate observed for 5-PPDi using pHH 54 , the parent compound was the major one found after 180 min of incubation, illustrating that some differences can be observed when comparing in vivo and in vitro data.…”

Section: Detection Of Nps Biomarkers In Toxicological Samples: From Quantitative Ms/ms Analysis To Hrms Screeningmentioning

confidence: 99%

The key role of mass spectrometry in comprehensive research on new psychoactive substances

Fabregat‐Safont¹,

Sancho²,

Hernández³

et al. 2021

J Mass Spectrom

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This month's Special Feature is authored by four accomplished investigators from the Department of Physical and Analytical Chemistry, University Jaume I, Castellón de la Plana, Spain. In their article, Dr. Ibáñez and colleagues direct their attention towards issues relating to new psychoactive substances (NPS), or emerging designer drugs, a heterogeneous group of compounds that aim to mimic the actions of ‘classical’ illicit drugs and circumvent scheduling guidelines. Each year these drugs contribute to a growing number of drug‐related adverse events and deaths. The authors describe their work by way of a three‐step strategy for the analysis of these agents by mass spectrometry: first, detection and analytical characterization of the NPS; second, metabolic and pharmacokinetics studies to select the most suitable biomarkers of their consumption; and third, the detection, identification and quantification of these biomarkers in biological tissues and fluids. They discuss the application of a range of mass spectrometric techniques, including conventional approaches such as combined liquid chromatography‐mass spectrometry, but also the more recent adoption of direct ionization sources for the rapid identification of seized lots of drugs. To illustrate their points this Special Feature focuses on two model psychoactive substances: the synthetic cannabinoid XLR‐11 and the synthetic cathinone 5‐PPDi. Their Special Feature illustrates some of the challenges involved in the analysis of new psychoactive substances and highlights the essential role of mass spectrometry in this important and rapidly evolving area.

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“…Solid-phase extraction (SPE) − and liquid–liquid extraction (LLE) ,, are the most commonly used pretreatment methods for synthetic cathinones in urine. However, an evaporation step is required for SPE and LLE to remove the solvent and then further enrich, which is cumbersome and time-consuming.…”

Section: Introductionmentioning

confidence: 99%

Automatic MDSPE Combined with DART–HRMS for the Rapid Quantitation of 21 Synthetic Cathinones in Urine

Li,

Lian,

Sheng

et al. 2023

J. Am. Soc. Mass Spectrom.

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A new, rapid, and automated method for the quantitation of 21 synthetic cathinones in urine was established using magnetic dispersive solid-phase extraction (MDSPE) in combination with direct analysis in real time-high-resolution mass spectrometry (DART−HRMS). Sample preparation and quantitation were verified by liquid chromatography−tandem mass spectrometry (LC-MS/MS). Methcathinone-D3, α-PVP-D8, and proadifen (SKF525A) were used as internal standards. Magnetic HLB extractant and NaH 2 PO 4 /NaOH buffer (0.2 M, pH 7) were used in automatic MDSPE. All 21 synthetic cathinones could be detected and analyzed by DART−HRMS in under 1 min. It was proven that the linearities of 21 synthetic cathinones were suitable (R 2 > 0.99) in the concentration ranges of 0.5−100 ng/mL or 1−100 ng/mL. The precision and accuracy values were all within ±15%, and the samples were stable under various conditions. The average time of each sample from preprocessing to completion of detection was approximately 2 min, allowing for rapid sample analysis. The relative error (RE) of the concentrations obtained by DART−HRMS and LC−MS/MS were within ±13.61%, and the linear coefficient (R) was 0.9964. The results of DART−HRMS and LC−MS/MS provided equivalent values at the 95% confidence level. In summary, a simple, fast, and convenient quantitation method via DART−HRMS was established. This application can be utilized to reduce backlogs and promote rapid case processing.

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Studies on the phase I metabolites of the new designer drug 1-(2,3-dihydro-1H-inden-5-yl)-2-(pyrrolidine-1-yl)butan-1-one (5-PPDI) in human urine

Cited by 9 publications

References 17 publications

The key role of mass spectrometry in comprehensive research on new psychoactive substances

The key role of mass spectrometry in comprehensive research on new psychoactive substances

The key role of mass spectrometry in comprehensive research on new psychoactive substances

Automatic MDSPE Combined with DART–HRMS for the Rapid Quantitation of 21 Synthetic Cathinones in Urine

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