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A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation

文献类型：期刊论文

作者Guo, Jiacheng2,3; Xu, Lingling1; You, Wen1; Ji, Yuze2,3; Chen, Dongying1,2,3
刊名JOURNAL OF MOLECULAR STRUCTURE
出版日期2025-02-15
卷号1322页码:9
关键词Indole-3-propionic acid Nicotinamide Cocrystal Solubility Permeability Stability
ISSN号0022-2860
DOI10.1016/j.molstruc.2024.140610
通讯作者Chen, Dongying(dychen@simm.ac.cn)
英文摘要Indole-3-propionic acid (IPA), an intestinal microbiota produced metabolite, has been supposed as a promising clinical drug candidate to ameliorate progressive neurological and neuropsychiatric disorders associated with gut microbiota dysbiosis due to age-related infirmity. In this study, in order to enhance the aqueous solubility of IPA, nicotinamide (NIC) was selected as a coformer to synthesize a novel cocrystal (IPA-NIC) which was characterized by single crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), thermal analysis, and Fourier transform infrared spectroscopy (FT-IR). The cocrystal structure was found to be in a 2:1 stoichiometric ratio consisting of four IPA molecules and two NIC molecules linked through heteromolecular hydrogen bonds within an asymmetric unit. The physiochemical properties of solubility, dissolution and permeability were demonstrated to be simultaneously improved. Preliminary forced studies under thermal (60 degrees C) and humid (92.5 % RH) conditions indicated that the cocrystal remained stable which would be beneficial to the further development as a potential drug candidate.
WOS关键词GUT MICROBIOTA ; STRATEGIES ; ADDRESS
WOS研究方向Chemistry
语种英语
WOS记录号WOS:001358304600001
出版者ELSEVIER
源URL[http://119.78.100.183/handle/2S10ELR8/314586]  
专题中国科学院上海药物研究所
通讯作者Chen, Dongying
作者单位1.Nanjing Univ Chinese Med, Sch Chinese Mat Med, 138 Xianlin Rd, Nanjing 210023, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, Res Ctr Pharmaceut Qual Control & Solid State Chem, 555 Rd Zuchongzhi,Zhangjiang Hitech Pk, Shanghai 201203, Peoples R China
3.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714		 Guo, Jiacheng,Xu, Lingling,You, Wen,et al. A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation[J]. JOURNAL OF MOLECULAR STRUCTURE,2025,1322:9.
APA Guo, Jiacheng,Xu, Lingling,You, Wen,Ji, Yuze,&Chen, Dongying.(2025).A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation.JOURNAL OF MOLECULAR STRUCTURE,1322,9.
MLA Guo, Jiacheng,et al."A novel cocrystal of indole-3-propionic acid and nicotinamide: Structure design, preparation, characterization and preliminary physiochemical properties evaluation".JOURNAL OF MOLECULAR STRUCTURE 1322(2025):9.

入库方式： OAI收割

来源：上海药物研究所

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