Pietro Brunetti, Diletta Berardinelli, Arianna Giorgetti, Hannes Max Schwelm, Belal Haschimi, Susi Pelotti, Francesco Paolo Busardò, Volker Auwärter
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In total, 12 AP-238 phase I metabolites were identified through liquid chromatography-quadrupole time-of-flight mass spectrometry in the in vitro assay. All of these were confirmed in vivo, and additionally, 15 phase I and five phase II metabolites were detected in the human urine samples, adding up to a total of 32 metabolites. Most of these metabolites were also detected in the blood samples, although mostly with lower abundances. The main in vivo metabolites were built by hydroxylation combined with further metabolic reactions such as <i>O</i>-methylation or <i>N-</i>deacylation. The controlled oral self-administration allowed us to confirm the usefulness of these metabolites as proof of intake in abstinence control. The detection of metabolites is often crucial to documenting consumption, especially when small traces of the parent drug can be found in real samples. 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引用次数: 0
摘要
由于最近对芬太尼类似物实施了法律限制,非法药物市场上出现了新一代酰基哌嗪类阿片。AP-238 是 2020 年被欧洲预警系统通报的该系列阿片类药物中最新的一种,并涉及越来越多的急性中毒事件。对 AP-238 的代谢进行了调查,以提供有用的消费标记。为了初步确定第一阶段的主要代谢物,进行了一次集合人类肝脏微粒体检测。此外,还对尸检中收集的四份全血和两份尿液样本以及受控口服自我给药研究中的样本进行了预期代谢物筛查。在体外试验中,通过液相色谱-四极杆飞行时间质谱法共鉴定出 12 种 AP-238 I 期代谢物。此外,在人体尿液样本中还检测到 15 种 I 期代谢物和 5 种 II 期代谢物,共计 32 种代谢物。血液样本中也检测到了这些代谢物中的大部分,但大部分丰度较低。体内的主要代谢物是通过羟化结合进一步的代谢反应(如 O-甲基化或 N-脱乙酰化)形成的。通过控制下的口服自我给药,我们证实了这些代谢物可作为戒断控制中的摄入证明。代谢物的检测往往是记录药物摄入量的关键,尤其是在实际样品中发现少量母体药物的情况下。事实证明,体外检测适合预测新型合成阿片类药物摄入量的有效生物标志物。
Human metabolism and basic pharmacokinetic evaluation of AP-238: A recently emerged acylpiperazine opioid
As a consequence of recently implemented legal restrictions on fentanyl analogs, a new generation of acylpiperazine opioids appeared on the illicit drug market. AP-238 was the latest opioid in this series to be notified by the European Early Warning System in 2020 and was involved in an increasing number of acute intoxications. AP-238 metabolism was investigated to provide useful markers of consumption. For the tentative identification of the main phase I metabolites, a pooled human liver microsome assay was performed. Further, four whole blood and two urine samples collected during post-mortem examinations and samples from a controlled oral self-administration study were screened for anticipated metabolites. In total, 12 AP-238 phase I metabolites were identified through liquid chromatography-quadrupole time-of-flight mass spectrometry in the in vitro assay. All of these were confirmed in vivo, and additionally, 15 phase I and five phase II metabolites were detected in the human urine samples, adding up to a total of 32 metabolites. Most of these metabolites were also detected in the blood samples, although mostly with lower abundances. The main in vivo metabolites were built by hydroxylation combined with further metabolic reactions such as O-methylation or N-deacylation. The controlled oral self-administration allowed us to confirm the usefulness of these metabolites as proof of intake in abstinence control. The detection of metabolites is often crucial to documenting consumption, especially when small traces of the parent drug can be found in real samples. The in vitro assay proved to be suitable for the prediction of valid biomarkers of novel synthetic opioid intake.
期刊介绍:
As the incidence of drugs escalates in 21st century living, their detection and analysis have become increasingly important. Sport, the workplace, crime investigation, homeland security, the pharmaceutical industry and the environment are just some of the high profile arenas in which analytical testing has provided an important investigative tool for uncovering the presence of extraneous substances.
In addition to the usual publishing fare of primary research articles, case reports and letters, Drug Testing and Analysis offers a unique combination of; ‘How to’ material such as ‘Tutorials’ and ‘Reviews’, Speculative pieces (‘Commentaries’ and ‘Perspectives'', providing a broader scientific and social context to the aspects of analytical testing), ‘Annual banned substance reviews’ (delivering a critical evaluation of the methods used in the characterization of established and newly outlawed compounds).
Rather than focus on the application of a single technique, Drug Testing and Analysis employs a unique multidisciplinary approach to the field of controversial compound determination. Papers discussing chromatography, mass spectrometry, immunological approaches, 1D/2D gel electrophoresis, to name just a few select methods, are welcomed where their application is related to any of the six key topics listed below.