文献类型：期刊文献

英文题名：Estimating Thermodynamic Stability Relationship of Polymorphs of Sofosbuvir

作者：Qi, Ming-Hui[1];Hong, Ming-Huang[1];Liu, Yan[1];Wang, En-Fu[1];Ren, Fu-Zheng[1];Ren, Guo-Bin[1]

机构：[1]E China Univ Sci & Technol, Sch Pharm, Lab Pharmaceut Crystal Engn & Technol, Shanghai 200237, Peoples R China

年份：2015

卷号：15

期号：10

起止页码：5062

外文期刊名：CRYSTAL GROWTH & DESIGN

收录：;EI(收录号：20154201379941);WOS:【SCI-EXPANDED(收录号:WOS:000362628800044)】；

基金：This work was supported by National Natural Science Foundation of China (no. 81102391) and Shanghai Committee of Science and Technology (grant 12DZ1930702). We thank Zhejiang Ausun Pharmaceutical Co., Ltd., China, for supplying sofosbuvir material.

语种：英文

外文关键词：Solubility - Thermoanalysis - X ray powder diffraction - Free energy - Melting

摘要：The polymorphism of sofosbuvir has been investigated. Three polymorphs have been identified and characterized by X-ray powder diffraction (XRPD) and thermal analysis. Form A and Form B were determined as enantiotropic systems according to the Heat of Fusion Rule. The melting data and isobaric heat capacities of both polymorph have been determined calorimetrically, and the solubility data of each polymorph in water at different temperatures have been determined. With these data, the transition temperature (T-tr) was then estimated using solubility extrapolation method, heat of transition (Delta H-tr) method, melting data method, and configurational free energy (G(c)) phase diagram method. The values of T-tr. were found to be 93.29, 90.59, and 108.37 degrees C for the first three methods, respectively. In the G(c) phase diagram method case, T-tr was found to be 109.25 degrees C when eq 19 was used compared to 109.28 degrees C when eq 20 was used.