n-Butylidenephthalide (NBDP) is one of the bioactive constituents originally isolated from Ligusticum chuanxiong Hort. The aim of this study was to study the metabolic profiles of NBDP in rat and human liver microsomes. NBDP was individually incubated with liver microsomes of rat and human at 37°C for 1 h and the samples incubated were analyzed by ultra-high-performance liquid chromatography combined with high-resolution mass spectrometry. The identities of the metabolites were identified by accurate masses, product ions and retention times. Under the current conditions, a total of 14 metabolites were detected and identified. M12, M13 and M14 were biosynthesized and unambiguously characterized by nuclear magnetic resonance spectroscopy. All the metabolites can be detected in rat liver microsomes, whereas in human liver microsomes, M1, M3, M4, M5, M6 and M7 were not detected. Our results demonstrated that the metabolic pathways of NBDP included hydroxylation, hydration, hydrolysis and glutathione conjugation. This study provides an overview of the metabolic profiles of NBDP in vitro, which is helpful to understand the action of this compound.

中文翻译：

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液相色谱-高分辨质谱法鉴定大鼠和人肝微粒体中正丁二苯酞的代谢物

n- Butylidenephthalide (NBDP) 是最初从川芎中分离出来的生物活性成分之一霍特。本研究的目的是研究 NBDP 在大鼠和人肝微粒体中的代谢特征。NBDP与大鼠和人的肝微粒体在37°C下单独孵育1小时，孵育的样品通过超高效液相色谱结合高分辨率质谱进行分析。通过准确质量数、产物离子和保留时间来鉴定代谢物的特性。在当前条件下，共检测和鉴定了 14 种代谢物。M12、M13 和 M14 是生物合成的，并通过核磁共振波谱明确表征。所有代谢物在大鼠肝微粒体中均可检出，而在人肝微粒体中未检出M1、M3、M4、M5、M6和M7。我们的结果表明 NBDP 的代谢途径包括羟基化、水合、水解和谷胱甘肽结合。本研究概述了 NBDP 的代谢特征体外，这有助于了解该化合物的作用。