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Preparation and crystal structure of sorafenib sulfate monohydrate

机译:索拉非尼硫酸盐一水合物的制备和晶体结构

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Salt formation is the most commonly method for increasing the solubility of drug. Sorafenib (Sor), a multikinase inhibitor active in the treatment a board of human cancers, has a very low solubility. In this study, sorafenib sulfate monohydrate (Sor-S) has been prepared for improving its solubility. The simulated powder X-ray diffraction (PXRD) was different from experimental PXRD of free Sor. The crystal structure of Sor-S was characterized. The hydrogen bond system, topology, and the superposition of the molecular conformations of sorafenib in base form and protonated cation in salt form were analyzed. The Hirshfeld surfaces plotted with dnorm was conducted for investigating the hydrogen bonds. Shape index and curvedness maps presented two rings with π π interplanar stacking. The tabletability was predicted using an energy framework.
机译:盐形成是增加药物溶解度最常见的方法。 Sorafenib(SOR),一种活性在治疗中的多立糖酶抑制剂,具有非常低的溶解度。 在该研究中,已经制备了Sorafenib硫酸根(Sor-S)以改善其溶解度。 模拟粉末X射线衍射(PXRD)不同于游离SOR的实验PXRD。 SOR-S的晶体结构的特征在于。 分析了氢键体系,拓扑和索拉非尼的碱形式和盐形式质原阳离子的分子构象的叠加。 采用DnorM绘制的HIRSHFELD表面用于研究氢键。 形状指数和曲线图呈现出两个带有ππ跳闸堆叠的环。 使用能量框架预设平整性。

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