Abstract
Two types of solvates for the anti-angiogenesis drug apatinib mesylate (ATM) were obtained and their crystal structures were determined by single-crystal X-ray diffraction. The properties of these solvates were fully characterized by powder X-ray diffraction, dynamic vapor sorption, differential scanning calorimetry, and thermogravimetric analysis. Experimental and theoretical studies were performed on the solvates to understand the phase transitions induced by heat and humidity. An irreversible humidity-induced single-crystal-to-single-crystal (SCTSC) transformation from ethanol solvate (type II) to monohydrate (type I) was elucidated. Stability of these solvates, including moisture-dependent and thermal stability, was studied. The comprehensive investigation of the solvates and hydrate provided essential knowledge about quality control of the important drug.
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