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

• Published in: Journal of molecular liquids Vol. 346; p. 117899
• Main Authors: Sodeifian, Gholamhossein, Surya Alwi, Ratna, Razmimanesh, Fariba, Abadian, Mohammadamin
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15-01-2022
• Subjects: AIC; Anticancer drug; Dasatinib monohydrate; Solid-liquid equilibrium; Solubility; Supercritical carbon dioxide; Anticancer drug; Supercritical carbon dioxide; Solid-liquid equilibrium; AIC; Solubility; Dasatinib monohydrate
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2021.117899

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•The solubility of Dasatinib monohydrate (DAS) in Sc-CO2 was measured for the first time.•Experiments were conducted on temperatures (308–338 K) and pressures (120–270 bar).•Solubility data were correlated by twenty density-based models.•Self-consistency of experimental data was confirmed.•Solvation, sublimation and total enthalpies of DAS were estimated.
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 × 10−6 to 9.08 × 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.