Obeticholic acid forms two series of isostructural non-stoichiometric channel solvates

0561353 - FZÚ 2023 RIV US eng J - Journal Article
Skořepová, Eliška - Václavík, M. - Jirát, J. - Poupon, Morgane - Ridvan, L. - Babor, M. - Šoóš, M.
Obeticholic acid forms two series of isostructural non-stoichiometric channel solvates.
Crystal Growth & Design. Roč. 22, č. 9 (2022), s. 5589-5597. ISSN 1528-7483. E-ISSN 1528-7505
R&D Projects: GA MŠMT(CZ) EF16_019/0000760; GA ČR(CZ) GJ20-14770Y
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : crystal structure * molecules * organic compounds * solvates * solvents * X-ray diffraction
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.8, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.cgd.2c00688

The aim of this work was to investigate solid forms of an active pharmaceutical substance, obeticholic acid, and to characterize the discovered structures. Obeticholic acid is used to treat primary biliary cholangitis. No crystal structures have been published until now. Our X-ray powder diffraction results revealed that upon crystallization from various solvents, obeticholic acid forms one of two possible forms. Further investigation by thermogravimetric analysis and differential scanning calorimetry showed that the two forms are in fact solvated.
Permanent Link: https://hdl.handle.net/11104/0334020