Department of Industrial and Physical Pharmacy, School of Pharmacy and Pharmaceutical Sciences, Purdue University, 575 Stadium Mall Drive, West Lafayette, Indiana 47907, USA.
J Pharm Sci. 2010 Sep;99(9):3826-38. doi: 10.1002/jps.22214.
In this study, the crystallization behavior of a variety of compounds was studied following rapid solvent evaporation using spin coating. Initial screening to determine model compound suitability was performed using a structurally diverse set of 51 compounds in three different solvent systems [dichloromethane (DCM), a 1:1 (w/w) dichloromethane/ethanol mixture (MIX), and ethanol (EtOH)]. Of this starting set of 153 drug-solvent combinations, 93 (40 compounds) were selected for further evaluation based on solubility, chemical solution stability, and processability criteria. These systems were spin coated and their crystallization was monitored using polarized light microscopy (7 days, dry conditions). The crystallization behavior of the samples could be classified as rapid (Class I: 39 cases), intermediate (Class II: 23 cases), or slow (Class III: 31 cases). The solvent system employed influenced the classification outcome for only four of the compounds. The various compounds showed very diverse crystallization behavior. Upon comparison of classification results with those of a previous study, where cooling from the melt was used as a preparation technique, a good similarity was found whereby 68% of the cases were identically classified. Multivariate analysis was performed using a set of relevant physicochemical compound characteristics. It was found that a number of these parameters tended to differ between the different classes. These could be further interpreted in terms of the nature of the crystallization process. Additional multivariate analysis on the separate classes of compounds indicated some potential in predicting the crystallization tendency of a given compound.
在这项研究中,使用旋转涂层法通过快速溶剂蒸发研究了多种化合物的结晶行为。使用三种不同溶剂系统(二氯甲烷(DCM)、1:1(w/w)二氯甲烷/乙醇混合物(MIX)和乙醇(EtOH))中的 51 种具有不同结构的化合物进行了初始筛选,以确定模型化合物的适用性。在这个起始的 153 种药物-溶剂组合中,根据溶解度、化学溶液稳定性和可加工性标准,选择了 93 种(40 种化合物)进行进一步评估。这些系统被旋转涂层,并使用偏振光显微镜监测其结晶(7 天,干燥条件)。可以将样品的结晶行为分类为快速(I 类:39 种情况)、中间(II 类:23 种情况)或缓慢(III 类:31 种情况)。所使用的溶剂系统仅对四种化合物的分类结果产生影响。各种化合物表现出非常不同的结晶行为。将分类结果与先前使用熔融冷却作为制备技术的研究进行比较时,发现存在很好的相似性,其中 68%的情况被相同分类。使用一组相关的物理化学化合物特性进行了多元分析。发现这些参数中的许多参数在不同类别之间存在差异。可以根据结晶过程的性质进一步解释这些差异。对化合物的单独类别进行的额外多元分析表明,在预测给定化合物的结晶趋势方面具有一定的潜力。