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Novel Solid Forms of Cardarine/GW501516 and Their Characterization by X-Ray Diffraction, Thermal, Computational, FTIR, and UV Analysis.

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Názov: Novel Solid Forms of Cardarine/GW501516 and Their Characterization by X-Ray Diffraction, Thermal, Computational, FTIR, and UV Analysis.
Autori: Turza, Alexandru, Bosca, Maria, Muresan-Pop, Marieta, Mare, Liviu, Borodi, Gheorghe, Popescu, Violeta
Zdroj: Pharmaceutics; Feb2025, Vol. 17 Issue 2, p152, 20p
Predmety: X-ray powder diffraction, FOURIER transform infrared spectroscopy, CRYSTAL structure, INSULIN resistance, POLYMORPHISM (Crystallography), PEROXISOME proliferator-activated receptors
Abstrakt: Cardarine (C21H18F3NO3S2), better known by the popular name of GW501516, is a peroxisome proliferator-activated receptor delta (PPR-δ) agonist that presents potential use in the approach of cardiovascular diseases and metabolic disorders, dyslipidemia, and insulin resistance. The capability of cardarine to exhibit new solid forms by recrystallization from a broad class of solvents was explored. A total of four new solid forms were obtained: a new polymorph of cardarine (C21H18F3NO3S2), the cardarine: 4,4′-bipyridine cocrystal (C21H18F3NO3S2·0.5C10H8N2), the cardarine methanol solvate (C21H18F3NO3S2·CH3OH), and the cardarine dimethylformamide solvate (C21H18F3NO3S2·C3H7NO). Moreover, two derivatives of cardarine were obtained, in the form of the mono-oxidized cardarine structure (C21H18F3NO4S2) and the dioxidized cardarine structure (C21H18F3NO5S2). The formation process was proven by the determination of their crystal structures using single crystal X-ray diffraction and followed by their lattice energies evaluation. Further investigations have been conducted by powder X-ray diffraction, DTA/TGA thermal analysis, and FTIR spectroscopy. The stability and solubility were analyzed as well. [ABSTRACT FROM AUTHOR]
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Databáza: Biomedical Index
Popis
Abstrakt:Cardarine (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>3</subscript>S<subscript>2</subscript>), better known by the popular name of GW501516, is a peroxisome proliferator-activated receptor delta (PPR-δ) agonist that presents potential use in the approach of cardiovascular diseases and metabolic disorders, dyslipidemia, and insulin resistance. The capability of cardarine to exhibit new solid forms by recrystallization from a broad class of solvents was explored. A total of four new solid forms were obtained: a new polymorph of cardarine (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>3</subscript>S<subscript>2</subscript>), the cardarine: 4,4′-bipyridine cocrystal (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>3</subscript>S<subscript>2</subscript>·0.5C<subscript>10</subscript>H<subscript>8</subscript>N<subscript>2</subscript>), the cardarine methanol solvate (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>3</subscript>S<subscript>2</subscript>·CH<subscript>3</subscript>OH), and the cardarine dimethylformamide solvate (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>3</subscript>S<subscript>2</subscript>·C<subscript>3</subscript>H<subscript>7</subscript>NO). Moreover, two derivatives of cardarine were obtained, in the form of the mono-oxidized cardarine structure (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>4</subscript>S<subscript>2</subscript>) and the dioxidized cardarine structure (C<subscript>21</subscript>H<subscript>18</subscript>F<subscript>3</subscript>NO<subscript>5</subscript>S<subscript>2</subscript>). The formation process was proven by the determination of their crystal structures using single crystal X-ray diffraction and followed by their lattice energies evaluation. Further investigations have been conducted by powder X-ray diffraction, DTA/TGA thermal analysis, and FTIR spectroscopy. The stability and solubility were analyzed as well. [ABSTRACT FROM AUTHOR]
ISSN:19994923
DOI:10.3390/pharmaceutics17020152