文献类型：期刊文献

英文题名：Structure properties of scoparone: Polymorphs and cocrystals

作者：Chen, Jin-yao[1];Wang, Xiao-yu[1];Hong, Ming-huang[1,2];Yi, Dong-xu[1];Qi, Ming-hui[1,2];Ren, Guo-bin[1,2]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Lab Pharmaceut Crystal Engn & Technol, 130 Meilong Rd, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2019

卷号：1191

起止页码：323

外文期刊名：JOURNAL OF MOLECULAR STRUCTURE

收录：;EI(收录号：20191906870802);WOS:【SCI-EXPANDED(收录号:WOS:000468178400038)】；

基金：This work was supported by the National Natural Science Foundation of China (No. 21706064, No. 21776073) and Fundamental Research Funds for the Central Universities (No. 222201814049).

语种：英文

外文关键词：Scoparone; Polymorphs; Cocrystals; Crystal structure; Powder dissolution study

摘要：A comprehensive polymorph and cocrystal study for the natural pharmaceutical molecule scoparone (1) with low solubility was conducted, in which a novel polymorph B and four cocrystals, i.e. scoparone-3,5-difluorobenzoic acid (1a), scoparone-urea (1b), scoparone-pyrimethamine (1c) and scoparone-succinimide (1d), were obtained through solvent crystallization method. The scoparone polymorphs and cocrystals were characterized by powder X-ray diffraction and thermal analysis, the crystal structures of which were determined by single-crystal X-ray diffraction as well. The kinetic dissolution property of polymorphs and cocrystals was conducted in this work. The novel polymorph B is more thermodynamically stable than form A, and exhibits lower maximum dissolution concentration than that of form A. Among the cocrystals, the formation of cocrystal with urea can enhance the drug dissolution concentration compared to form A and form B. (C) 2019 Elsevier B.V. All rights reserved.