文献类型：期刊文献

英文题名：Polymorphs and Hydrates of Apatinib Mesylate: Insight into the Crystal Structures, Properties, and Phase Transformations

作者：Zhu, Bin[1];Wang, Jian-Rong[2];Ren, Guobin[1];Mei, Xuefeng[2]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Lab Pharmaceut Crystal Engn & Technol, Shanghai 200237, Peoples R China;[2]Chinese Acad Sci, Shanghai Inst Mat Med, Pharmaceut Analyt & Solid State Chem Res Ctr, Shanghai 201203, Peoples R China

年份：2016

卷号：16

期号：11

起止页码：6537

外文期刊名：CRYSTAL GROWTH & DESIGN

收录：;EI(收录号：20164603001232);WOS:【SCI-EXPANDED(收录号:WOS:000387094600050)】；

基金：We thank the National Natural Science Foundation of China (Grant Nos. 81273479 and 81402898), Youth Innovation Promotion Association CAS (Grant No. 2016257), and CAS Key Technology Talent Program for funding. We also thank the supports from the National Natural Science Foundation of China (No. 21576080).

语种：英文

外文关键词：Differential scanning calorimetry - Single crystals - Thermogravimetric analysis - Hydrates - Phase transitions - Fourier transform infrared spectroscopy - X ray diffraction

摘要：Apatinib mesylate (ATM) is an orally administrated anticancer agent for the treatment of advanced gastric cancer. Single-crystal structures of four ATM solid forms, including two anhydrous polymorphs (I and II) and hydrates (HA and HB), were elucidated by single-crystal X-ray diffraction. The properties of these various forms were fully characterized by powder X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and Raman spectroscopy. The discrepant molecule conformations, H-bonding interactions, and packing arrangements in the crystal. structures were analyzed associated with the hygroscopicity of forms I and II. Various form transformations induced by either moisture or solution conditions were examined, and the relative stability was established. The results revealed that HA is the Most thermodynamically stable form and is superior to the currently marketed form.