白藜芦醇衍生物在大鼠尿液中代谢产物结构及代谢途径研究

Studies on metabolic structures and pathways of resveratrol derivative in rat urine

目的:研究大鼠尿液中白藜芦醇衍生物(E)-3,5,4′-三甲氧基-1,2-二苯乙烯(BTM-0512)的主要代谢产物结构及代谢途径。方法:尿样采用C18固相萃取小柱(SPE)处理,用LC/MS/MS技术分析推测BTM-0512在大鼠体内代谢产物的结构,结合UV、IR、NMR等技术对代谢产物M1进行结构确证。结果:BTM-0512在大鼠体内有多种代谢物,所建立的LC/MS/MS方法可用于寻找并鉴定主要代谢产物。结论:首次从大鼠尿液中鉴定出3个Ⅰ相和1个Ⅱ相代谢产物(M1-M4),推断出BTM-0512在大鼠体内的代谢途径,并确证了代谢产物M1的结构。

Objective：To identify the major metabolites and metabolic pathways of resveratrol derivative （E）-3,5,4＇-trimethoxystilbene,BTM-0512） in rat urine.Methods：Samples were pretreated by using solid-phase extraction technique （SPE） with C18 cartridges,and a LC/MS/MS method with electrospray ionization （ESI）,positive ion mode and collision induced dissociation （CID）,was used to elucidate the structures of the major metabolites of BTM-0512.UV,IR and NMR were used to identify the structures of M1. Results：The results proved that the LC/MS/MS method established was simple,reliable and sensitive,and can be easily screened and identified the structures of the major metabolites of BTM-0512 in rat urine;it was better to understand its in vivo metabolism.Conclusion：The main metabolites of BTM-0512 are three phase Ⅰand one phase Ⅱmetabolites in rat urine,the possible metabolic pathways is proposed for the first time.The structure of M1 is authenticated by combining with spectra technologies.