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目的:探索秦皮乙素和秦皮甲素在大鼠尿液中的代谢物,以期阐明这2种药物在体内作用的化学基础。方法:单次灌胃给药秦皮乙素和秦皮甲素后收集48 h内大鼠尿液,经固相萃取法处理,采用HPLC-MS~n检测代谢产物,色谱条件为流动相甲醇-0.2%甲酸(12∶88),流速1.0 m L·min~(-1),进样量5μL,柱温35℃,检测波长339 nm;质谱条件为电喷雾离子化方式,正离子扫描模式,喷雾电压3.0 k V,碰撞气流量0.16 m L·min~(-1),洗脱溶剂温度350℃,离子源温度450℃。结果:从大鼠尿液中发现并初步鉴定了5个代谢产物的化学结构,主要为秦皮乙素的水解产物、还原产物、甲基化产物及硫酸化产物。结论:推测秦皮甲素在体内先水解为秦皮乙素,再进行水解、还原、甲基化及硫酸化反应。
OBJECTIVE: To explore the metabolites of aescin and aesculin in rat urine in order to elucidate the chemical basis of these two drugs in vivo. Methods: After a single oral administration of aesculetin and aesculin, urine of rats was collected within 48 h. The urine samples were collected and purified by solid-phase extraction. The metabolites were detected by HPLC-MS-n. The mobile phase consisted of methanol-0.2 % Of formic acid (12:88) at a flow rate of 1.0 m L · min -1 with a sample volume of 5 μL and a column temperature of 35 ° C at a detection wavelength of 339 nm. The mass spectrometry conditions were electrospray ionization, positive ion scanning, The voltage was 3.0 kV and the collision gas flow was 0.16 m L · min -1. The elution solvent temperature was 350 ℃ and the ion source temperature was 450 ℃. Results: The chemical structures of five metabolites were found and identified primarily from the urine of rats, mainly including the hydrolyzate, reduction product, methylation product and sulfation product of aesculetin. Conclusion: It is speculated that aesculin is first hydrolyzed to aesculetin in the body, followed by hydrolysis, reduction, methylation and sulfation reactions.