(S)-5-(3-乙-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone 的晶体结构是这样的
Victor Li1, Glenn P A Yap2, Chaoying Ni3
1W. M. Keck Center for Advanced Microscopy and Microanalysis, University of Delaware, Newark, DE 19716, USA.
概括
一个parsaclisib前体的晶体结构在100K确定. 这种oxazolidinone化合物表现出具有N-HO联的聚合物结构,与抗癌药物合成有关.
科学领域:
- 晶体学 晶体学是指结晶学.
- 药用化学 医学化学
- 有机化学 有机化学
背景情况:
- 帕萨克利西布 (Parsaclisib) 是一种PI3K抑制剂,被研究为一种潜在的抗癌疗法.
- 了解候选药物的固态结构对于优化合成和配方至关重要.
研究的目的:
- 为了在低温下阐明 (S) - 5 - 3 - 乙 - 5 - - 2 - 乙 - 6 - - 2 - - - 2 - - - 2 - - 2 - - - 2 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
- 提供与parsaclisib.合成相关的结构见解.
主要方法:
- 在100K的单晶X射线衍射.
- 分析晶体对称性和分子间相互作用.
主要成果:
- 该化合物结晶在单临床空间组P2中.
- 观察到一个聚合物结构,由螺丝轴沿着b轴传播.
- N-HO 键被确定为主要的分子间相互作用.
结论:
- 确定的晶体结构提供了对这种parsaclisib前体的固态安排的详细了解.
- 结构数据可以为未来的综合策略和parsaclisib的发展提供信息.
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