title: Development of a rapid and validated method for investigating the metabolism of scoparone in rat using ultra-performance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry.
abstract: Scoparone (6,7-dimethoxycoumarin) is known to have a wide range of pharmacological properties. In this study, a rapid and validated ultra-performance liquid chromatography/electrospray ionization quadruple time-of-flight mass spectrometry (UPLC/ESI-QTof-MS) method was developed to investigate the metabolism of scoparone in rat for the first time. The new method reduced the sample handling and analytical time by three- to six-fold, and the detection limit by five- to 1000-fold, compared to published methods. Far more metabolites were detected and identified compared to published data, which were preliminarily identified as scopoletin, isoscopoletin, isofraxidin, and fraxidin, respectively, when subjected to tandem mass spectrometry analyses. It is found that the metabolic trajectory of scoparone in rat focused on phase I metabolism which is obviously different from published results, and revealed a wide range of pharmacological properties of scoparone partly attributed to the bioactivities of its metabolites.
authors.affiliation: Department of Pharmacognosy, Heilongjiang University of Chinese Medicine, 24 Heping Road, Harbin 150040, China. wxj@hljucm.net
authors.forename: Xijun
authors.initials: X
authors.lastname: Wang
authors.forename: Haitao
authors.initials: H
authors.lastname: Lv
authors.forename: Hui
authors.initials: H
authors.lastname: Sun
authors.forename: Lian
authors.initials: L
authors.lastname: Liu
authors.forename: Wenjun
authors.initials: W
authors.lastname: Sun
authors.forename: Hongxin
authors.initials: H
authors.lastname: Cao
mesh_terms: D000818:Animals; D001646:Bile / Q000737:chemistry*; D001774:Blood Chemical Analysis / Q000379:methods*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003374:Coumarins / Q000008:administration & dosage* / Q000493:pharmacokinetics*; D008297:Male; D008657:Metabolic Clearance Rate; D051381:Rats; D017208:Rats, Wistar; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D016482:Urinalysis / Q000379:methods*
chemical_list: D003374:Coumarins; C018145:scoparone