3,3-二氧乙-一种用于药物发现中的生物异构体替代物的多功能功能组
Oleksandr S Liashuk1,2, Anastasiya Fedinchyk1,2, Kostiantyn P Melnykov1,2
1Enamine Ltd., Winston Churchill Street 78, 02094, Kyїv, Ukraine.
新的3,3-difluorooxetane (3,3-diFox) 单元显示出作为药物化学中生物异构体替代的多功能功能组的承诺. 它的特性支持其在早期药物发现计划中的使用.
科学领域:
- 有机化学 有机化学
- 药用化学 医学化学
- 药物发现 药物发现 药物发现
背景情况:
- 功能组 (FG) 是有机化学的基础.
- 生物异构主义在药物化学中越来越重要,推动了对新型FG的需求.
- 3,3-difluorooxetane (3,3-diFox) 单元被探索为一个潜在的FG用于生物异构体替代.
研究的目的:
- 评估3,3-二氧乙 (3,3-diFox) 单元作为生物异构体替代的新功能组.
- 在药物发现中评估3,3-diFox片段的特性和实用性.
主要方法:
- 3,3-diFox构建块的多重组合成.
- 硬质和电子性能的量化.
- 对pKa,LogP和化学稳定性的测量.
- 一种由3,3-diFox衍生的生物固醇的生物评估.
主要成果:
- 3,3-diFox片段在多重克尺度上成功合成.
- 获得了关于3,3-diFox的固体,电子,物理化学和稳定性质的全面数据.
- 一种由3,3-diFox衍生的生物在生物评估中表现出有前途的行为.
结论:
- 3,3-difluorooxetane (3,3-diFox) 单元表现出适合生物异构体应用的多功能性质.
- 3,3-diFox片段是早期药物发现计划的有价值的替代品.
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