摘要
目的:设计并合成氟康唑衍生物。方法:基于前期计算机辅助药物设计结果,以氟康唑为先导化合物,保留2,4-二氟苯基、叔醇羟基和一个三氮唑,在3位C上引入不同的取代氨基,设计经取代,酯化,溴代,缩合,皂化,缩合6步反应合成目标化合物。结果:合成了13个新化合物,结构经1H-NMR,MS确证。结论:合成路线设计合理,目标化合物结构正确,可供下一步的药理研究。
Objective： To design and synthesize fluconazole derivatives. Methods： Based on the previous result of computer-aided drug design, we systematically altered the structure of fluconazole according to the structure-activity relationships of the azoles in antifungal compounds and synthesized target compounds in six steps. Results： Thirteen new compounds were synthesized. The structures were confirmed by ^1H-NMR and MS. Conclusion： The design of synthetic route is reasonable. Target compounds are correct and can be used for further study of pharmacological activities.
出处
《中国新药杂志》
CAS
CSCD
北大核心
2012年第6期681-685,700,共6页
Chinese Journal of New Drugs
基金
国家自然科学基金(81072534)
关键词
氟康唑
衍生物
设计
合成
fluconazole
derivative
design
synthesis
