候选药物T-VA的质谱裂解规律及其在大鼠体内的代谢产物研究
发布时间：2019-06-11 02:56
【摘要】：采用液相色谱-线性离子阱-静电场轨道阱高分辨质谱(LC/LTQ-Orbitrap MS)技术研究候选药物T-VA的裂解规律及体内代谢,建立了大鼠体内T-VA及其代谢产物的LC/MSn分析方法,分析讨论了各自的主要碎片离子峰、质谱特征与结构信息,发现了血浆中主要代谢物M1。借鉴药物化学的方法,合成得到了代谢产物实体M1-1,经1 HNMR、13 CNMR、HRMS确认其结构,根据其色谱、质谱特征进行验证,结果表明,合成得到的M1-1即为血浆主要代谢物M1。借助PC12细胞模型验证了代谢产物M1的神经保护活性,该结果可为进一步研究其生物转化过程与前药修饰提供重要信息。
[Abstract]:The pyrolysis law and in vivo metabolism of candidate drug T-VA were studied by liquid chromatography-linear ion trap electrostatic field orbital trap high resolution mass spectrometry (LC/LTQ-Orbitrap MS). A LC/MSn method for the analysis of T-VA and its metabolites in rats was established. The ion peaks of their main fragments, the characteristics and structural information of mass spectrometry were analyzed and discussed, and the main metabolites M _ 1 in plasma were found. Using the method of drug chemistry for reference, the metabolite entity M1 鈮，
本文编号：2496953
[Abstract]:The pyrolysis law and in vivo metabolism of candidate drug T-VA were studied by liquid chromatography-linear ion trap electrostatic field orbital trap high resolution mass spectrometry (LC/LTQ-Orbitrap MS). A LC/MSn method for the analysis of T-VA and its metabolites in rats was established. The ion peaks of their main fragments, the characteristics and structural information of mass spectrometry were analyzed and discussed, and the main metabolites M _ 1 in plasma were found. Using the method of drug chemistry for reference, the metabolite entity M1 鈮，
本文编号：2496953
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