波谱学杂志2026，Vol.43Issue(2)：164-174,11.DOI:10.11938/cjmr20253184
顺/反-1,2,4-噁二唑衍生物的结构确证
Structure Elucidation of cis- and trans-1,2,4-Oxadiazol Derivatives
摘要
Abstract
The geometric configuration of cis-trans isomers critically influences their biological activities,making the separation and configurational identification essential for efficacy evaluation.In this study,cis/trans-1,2,4-oxadiazole derivatives were synthesized and comprehensively characterized by nuclear magnetic resonance(NMR),Fourier transform infrared spectroscopy(FT-IR),high-resolution mass spectrometry(HRMS),and theoretical calculations.This approach enabled unambiguous identification and distinction of a pair of isomers,including cis-4-[2-(3-((1H-indol-3-yl)methyl)-1,2,4-oxadiazol-5-yl)vinyl]-N,N-dimethylaniline and its trans-configuration analogue.Anti-Toxoplasma gondii activity assessment revealed that the cis-isomer(compound 2,selectivity index SI=1.50)exhibited higher activity than the trans-isomer(compound 1,SI=0.92)and the positive control spiramycin(SI=0.98),highlighting the value of configurational separation and identification in pharmaceutical research.This study deepens the understanding of configuration-activity relationships and provides new insights for developing highly selective anti-Toxoplasma agents.关键词
1,2,4-噁二唑/抗寄生虫药/结构解析/顺式构型/核磁共振Key words
1,2,4-oxadiazole/antiparasitic agents/structural elucidation/cis-configuration/NMR分类
数理科学引用本文复制引用
高源,刘心月,王思宏,胡伟..顺/反-1,2,4-噁二唑衍生物的结构确证[J].波谱学杂志,2026,43(2):164-174,11.基金项目
国家自然科学基金资助项目(22567024). （22567024）
