高等学校化学学报

高等学校化学学报 ›› 2002, Vol. 23 ›› Issue (2): 207.

• 研究论文 • 上一篇    下一篇

新型抗炎镇痛剂SFZ-47及其代谢物的电喷雾离子阱质谱研究

顾景凯1, 初大丰1, 钟大放1,4, 李艳2, 周慧1, 沈家骢3   

  1. 1. 吉林大学生命科学学院;
    2. 吉林大学化学科学学院;
    3. 教育部超分子结构与谱学开放实验室, 长春 130023;
    4. 沈阳药科大学药物代谢与药物动力学实验室, 沈阳 110015
  • 收稿日期:2001-03-15 出版日期:2002-02-24 发布日期:2002-02-24
  • 通讯作者: 顾景凯(1963年出生),男,博士,副教授,主要从事药物代谢与药物动力学研究.E-mail:gujingkai@163.net. E-mail:gujingkai@163.net.
  • 基金资助:

    国家自然科学基金重点项目(批准号:39930180);面上项目基金(批准号:30070879)资助

Studies on the Electrospray Ion Trap Mass Spectra of SFZ-47 and Its Metabolites for a Novel Anti-inflammatory and Analgesic Agent

GU Jing-Kai1, CHU Da-Feng1, ZHONG Da-Fang1,4, LI Yan2, ZHOU Hui1, SHEN Jia-Cong3   

  1. 1. College of Life Science;
    2. Collegeof Chemistry;
    3. Key Lab.for Supermolecular Structure and Spectroscopy, Jilin University, Changchun 130023, China;
    4. Laboratory of Drug Metabolismand Pharmacokinetics, Shengyang Pharmaceutical University, Shenyang 110015, China
  • Received:2001-03-15 Online:2002-02-24 Published:2002-02-24

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被引次数

41

摘要： 用电喷雾离子阱质谱对警犬尿样中SFZ-47[3H-1,2-二氢-2-(4-甲基苯胺基)甲基-1-吡咯里嗪酮]及其4种代谢物进行了结构鉴定,利用质谱解析软件分析其裂解方式发现,它们在(+)ESI-MS2或(+)ESI-MS3质谱中分别生成m/z122和脱吡咯里嗪酮母核的碎片,并发现葡萄苷酸型代谢物易于生成脱水(18u)和脱葡萄醛酸(176u)的碎片离子,这些特征可用于SFZ-47及结构类似物的体内生物转化研究.

关键词: 3H-1, 2-二氢-2-(4-甲基苯胺基)甲基-1-吡咯里嗪酮(SFZ-47), 代谢物, 电喷雾离子阱质谱法

Abstract: To investigate the characteristics of mass spectra of 3H-1,2-dihydro-2-(4-methyl-phenylamino)methyl-1-pyrrolizinone(SFZ-47), a novel anti-inflammatory and analgesic agent, and its metabolites, urine samples, which were collected from healthy beagel dogs after a single dose of 200 mg SFZ-47 was taken, were analyzed using electrospray ion trap mass spectrometry in a multi-stage MS full scan mode. The mass spectrometry was operated in the positive mode. The obtained mass spectra were analyzed by assisting with the software Mass Frontier 1.0 for their fragmentation pathways. Besides SFZ-47, four of its metabolites were identified in the urine by LC/MS. The full scan MS2 or MS3 spectra of each compound gave characteristic fragment ions of m/z 122 and depyrrolizinone respectively, whereas the ions of dehydration and neutral loss 176 u of two glucuronides were also found. These characteristics can be used for the future structure elucidation in metabolism of SFZ-47 and its analogues.

Key words: 3H-1,2-Dihydro-2-(4-methylphenylamino)methyl-1-pyrrolizinone, Metabolite, Electrospray ion trap mass spectrometer

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