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首页> 外文期刊>Crystal growth & design >Investigation into the Solid and Solution Properties of Known and Novel Polymorphs of the Antimicrobial Molecule Clofazimine
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Investigation into the Solid and Solution Properties of Known and Novel Polymorphs of the Antimicrobial Molecule Clofazimine

机译：已知和新型抗菌分子氯氟齐明多晶型的固溶特性研究

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摘要

Clofazimine is an anti-mycobacterial agent used as part of a multidrug treatment for leprosy. Recently clofazimine has shown promising activity against multidrug resistant tuberculosis. Clofazimine has been previously known to exist in two different crystal forms, or polymorphs, which are triclinic (F I) and monoclinic (F II) in crystal structure. The thermodynamic relationship between, and the solubility of, these different crystal structures of clofazimine has not previously been characterized. In this work, their solid and solution properties are studied, and as a result, two novel polymorphs of clofazimine (an orthorhombic crystal polymorph and a high temperature polymorph with a monoclinic structure) are reported. The properties of these new solid forms are compared and contrasted with those of the two previously reported polymorphs using thermal, spectroscopic, and microscopic techniques. Molecular modeling studies were also carried out to predict the relative thermodynamic relationship and the crystal morphology of the polymorphs. There was an excellent correlation observed between the aforementioned experimental and molecular modeling results, allowing for the unequivocal determination of the thermodynamic relationship between all four polymorphs of clofazimine.
机译：氯法齐明是一种抗分枝杆菌药，被用作麻风病多种药物治疗的一部分。最近，氯氟他明对多药耐药结核病显示出有希望的活性。氯吡嗪以前已知以两种不同的晶体形式或多晶型物存在，其晶体结构为三斜晶（F I）和单斜晶（F II）。氯吡嗪胺的这些不同晶体结构之间的热力学关系及其溶解度尚未得到表征。在这项工作中，研究了它们的固溶性和溶液性质，结果，报道了氯吡嗪明的两种新型多晶型物（斜方晶体多晶型物和具有单斜晶结构的高温多晶型物）。使用热，光谱和显微镜技术，将这些新的固体形式的性质与之前报道的两种多晶型物的性质进行比较和对比。还进行了分子建模研究，以预测多晶型物的相对热力学关系和晶体形态。在上述实验和分子建模结果之间观察到极好的相关性，从而可以明确确定氯吡嗪胺的所有四种多晶型物之间的热力学关系。

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