Solubility of Dasatinib monohydrate (anticancer drug) in supercritical CO2: Experimental and thermodynamic modeling

Solubility of Dasatinib monohydrate (DAS, an anticancer drug) in supercritical carbon dioxide (Sc-CO2) was examined statically at temperatures ranging from 308 to 338 K and pressures ranging from 120 to 270 bar. Based on the results, mole fractions of DAS dissolved in the Sc-CO2 were reported as 0.45 x 10(-6) to 9.08 x 10(-6), leading to solubilities in the range of 0.004-0.082 g/L, respectively. The experimental data were correlated using three types of models: (1) 20 existing empirical and semi-empirical models including 3-6 parameters on the basis of functional dependencies, (2) temperature-dependent and temperature-independent variants of the Peng-Robinson's (PR) cubic equation of state with a conventional mixing rule, and (3) solid-liquid equilibrium models. All tested models could produce appropriate fits to the solubility data at acceptable levels of accuracy, although solid-liquid equilibrium models led to the superiority based on AARD and AICc criterion. Furthermore, solvation and sublimation enthalpies were estimated. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

The solubility of Dasatinib monohydrate in supercritical carbon dioxide was studied and correlated using different types of models. The experimental results showed that Dasatinib has a high solubility in supercritical carbon dioxide within a certain temperature and pressure range, with the solubility ranging from 0.004-0.082 g/L. Based on the evaluation criteria, the solid-liquid equilibrium model performed superiorly in fitting the solubility data.