title: In vivo metabolism study of xiamenmycin A in mouse plasma by UPLC-QTOF-MS and LC-MS/MS.
abstract: Xiamenmycin A is an antifibrotic leading compound with a benzopyran skeleton that is isolated from mangrove-derived Streptomyces xiamenensis. As a promising small molecule for fibrotic diseases, less information is known about its metabolic characteristics in vivo. In this study, the time-course of xiamenmycin A in mouse plasma was investigated by relative quantification. After two types of administration of xiamenmycin A at a single dose of 10 mg/kg, the plasma concentrations were measured quantitatively by LC-MS/MS. The dynamic changes in the xiamenmycin A concentration showed rapid absorption and quick elimination in plasma post-administration. Four metabolites (M1-M4) were identified in blood by UPLC-QTOF-MS, and xiamenmycin B (M3) is the principal metabolite in vivo, as verified by comparison of the authentic standard sample. The structures of other metabolites were identified based on the characteristics of their MS and MS/MS data. The newly identified metabolites are useful for understanding the metabolism of xiamenmycin A in vivo, aiming at the development of an anti-fibrotic drug candidate for the therapeutic treatment of excessive fibrotic diseases.
authors: Key Laboratory of Systems Biomedicine, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China. fiona.fenglei@sjtu.edu.cn.
authors: Feng
authors: F
authors: Lei
authors: State Key Laboratory of Microbial Metabolism and School of Life Science & Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China. huanranfanfei@163.com.
authors: Du
authors: D
authors: Gao
authors: Waters Corporation, Building 13, No. 1000 Jinhai Road, Pudong New District, Shanghai 201206, China. xi_zhang@waters.com.
authors: Xi
authors: X
authors: Zhang
authors: State Key Laboratory of Microbial Metabolism and School of Life Science & Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China. xujunn@sjtu.edu.cn.
authors: Jun
authors: J
authors: Xu
authors: Key Laboratory of Systems Biomedicine, Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, Shanghai 200240, China. minjuanxu@sjtu.edu.cn.
authors: Min-Juan
authors: MJ
authors: Xu
mesh_terms: D000818:Animals; D001578:Benzopyrans / Q000097:blood*; D001711:Biotransformation; D002851:Chromatography, High Pressure Liquid; D005260:Female; D005343:Fibrinolytic Agents / Q000097:blood*; D013058:Mass Spectrometry; D051379:Mice; D008810:Mice, Inbred C57BL; D053719:Tandem Mass Spectrometry; D013912:Threonine / Q000031:analogs & derivatives* / Q000097:blood
chemical_list: D001578:Benzopyrans; D005343:Fibrinolytic Agents; C582113:N-((3,4-dihydro-3-hydroxy-2-methyl-2-(4'-methyl-3'-pentenyl)-2H-1-benzopyran-6-yl)carbonyl)threonine; D013912:Threonine
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