Abstract: Objective 2-(benzylamino)-1-phenylheptan-1-one is a novel synthetic cathinone derivative that has emerged in recent years, and its metabolic pathways and metabolites remain unclear. This study aims to elucidate its in vitro metabolic characteristics and provide theoretical support for new psychoactive substance abuse detection and metabolic research. Methods A human liver microsome in vitro metabolic model combined with ultra performance liquid chromatography-high resolution tandem mass spectrometry was employed to systematically analyze the metabolic transformation patterns of 2-(benzylamino)-1-phenylheptan-1-one. Metabolites were identified by comparing accurate molecular weights and fragment ions. Results A total of 30 metabolites were identified, and N-dealkylation, hydroxylation, ketone reduction, and methylation constituted the primary metabolic pathways. Among them, metabolites M5-B(N-dealkylation and ketone reduction), M2-B(N-dealkylation), and M1-B(ketone reduction) exhibited the highest relative abundance. Notably, M1-B and M5-B showed metabolic specificity. To address the risk of false positives caused by cross-reactivity among structural analogs or individual metabolic differences in single-metabolite detection, combined detection of M1-B, M2-B, and M5-B is recommended as a potential biomarker panel. This multi-marker strategy can reduce the risk of misjudgment in forensic identification and provide a basis for subsequent in vivo metabolic studies and detection method development. Conclusion This study is the first to systematically characterize the in vitro metabolic profile of 2-(benzylamino)-1-phenylheptan-1-one, identifying potential metabolic pathways and biomarkers. These findings provide key technical support for developing screening methods in forensic toxicology.

Key words: 2-(benzylamino)-1-phenylheptan-1-one, synthetic cathinone, liver microsome, in vitro metabolism

摘要： 目的 2-（苄氨基）-1-苯基庚-1-酮是近年来出现的新型合成卡西酮，其代谢途径及代谢物尚不明确。本研究旨在阐明其体外代谢特征，为新精神活性物质的滥用检测及代谢研究提供理论支持。方法 采用人肝微粒体体外代谢模型，结合超高效液相色谱-高分辨串联质谱技术，系统分析2-（苄氨基）-1-苯基庚-1-酮的代谢转化规律，通过精确分子量及碎片离子比对鉴定代谢物。结果 共鉴定出30种代谢物，揭示其主要代谢途径为N-脱烷基化、羟基化、酮还原、甲基化等。其中，代谢物M5-B（N-脱烷基化、酮还原）、M2-B（N-脱烷基化）和M1-B（酮还原）相对丰度较高，且M1-B与M5-B具有潜在代谢特异性。针对单一代谢物可能因结构类似物交叉反应或个体代谢差异导致假阳性的问题，建议联合检测M1-B、M2-B和M5-B作为潜在生物标志物组合。该多标志物组合策略可降低司法鉴定中的误判风险，为后续体内代谢研究及检测方法开发提供依据。结论 首次系统解析2-（苄氨基）-1-苯基庚-1-酮的体外代谢特征，确定潜在的代谢途径及生物标志物，以期为法医毒理学构建筛查方法提供关键的技术支撑。

关键词: 2-（苄氨基）-1-苯基庚-1-酮, 合成卡西酮, 肝微粒体, 体外代谢