Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate Phases

Crystal structures for the commercial monohydrate form and an anhydrate form of dasatinib, an oral anticancer agent, are presented along with characterization by Raman spectroscopy, powder X-ray diffraction, differential scanning calorimetry, and thermogravimetric analysis. Solubility measurements conducted in water reveal that the anhydrate has dramatically improved solubility compared to the commercial hydrate form. Finally, dasatinib is a rare example of a promiscuous solvate former, and the basis for this behavior can now be understood by examining the poor packing efficiency in the unsolvated form.