概述了手性1, 4-二氢吡啶类（1, 4-DHPs）钙拮抗剂的立体化学结构及其药效与绝对构型的关系，以及尼莫地平（nimodipine）的多晶型现象。采用单晶X射线衍射与固体和溶液圆二色（ECD）光谱直接关联的方法，对自发拆分获得的一对尼莫地平外消旋聚集体进行了绝对构型确定，首次获得了手性1, 4-DHPs类化合物的固体和溶液ECD光谱图。本方法对确认有机小分子的绝对构型，以及关联系列手性1, 4-DHP衍生物的绝对构型具有重要参考价值，同时提供了有别于常规非手性方法鉴别优势手性药物晶型的有效手段。 The stereochemical structures and absolute configuration-pharmacological activity relationship of chiral l, 4-dihydropyridines (1, 4-DHPs) calcium channel drugs were summarized. Additionally, the polymorphic forms of nimodipine were investigated. The absolute configurations of a pair of chiral nimodipines as a conglomerate prepared by spontaneous resolution under chiral crystallization were confirmed via X-ray crystallographic analysis directly correlated with their solid-state and solution electronic circular dichroism (ECD) spectra. The solid-state and solution ECD spectra of chiral l, 4-DHPs were obtained for the first time. This comprehensive method can be used to determine the absolute configurations of small organic molecules. Furthermore, it can be extended to correlate the absolute configurations of other series of chiral l, 4-DHP derivatives in the future. We also presented some effective techniques to distinguish polymorphs of chiral active pharmaceutical ingredients (APIs), which differ from the non-chiral conventional methods, to allow qualitative identification of different chiral crystalline states of APIs in pharmaceutical preparations
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