Maraviroc in aqueous co-solvent solutions of n-propanol, ethanol, dimethyl sulfoxide and N,N-dimethylformamide: solubility determination, preferential solvation and solvent effect analysis

Publication date: Available online 2 January 2020Source: The Journal of Chemical ThermodynamicsAuthor(s): Wentian Li, Peilin Ji, Yuyuan Xu, Ali Farajtabar, Xinbao Li, Hongkun ZhaoAbstractThe liquid-solid equilibrium and solubility of maraviroc in co-solvent mixtures of n-propanol, ethanol, dimethyl sulfoxide (DMSO) and N,N-dimethylformamide (DMF) plus water was obtained via the saturation shake-flask technique between 278.15 K and 323.15 K under 101.2 kPa. For the four aqueous co-solvent mixtures investigated, the mole fraction solubility of maraviroc increased with the increase in the temperature and mass fraction of n-propanol, ethanol, DMSO and DMF. The maximum solubility values of maraviroc were observed in the neat co-solvents. The dependence of the maraviroc solubility on the solvent composition and temperature was mathematically correlated by means of the Jouyban-Acree model. The obtained values of relative average deviation (RAD) and root-mean-square deviation (RMSD) were no more than 4.16×10-2 and 49.13×10-6, respectively. KAT-LSER model was implemented to get quantitative information about solvent effect on the variation of solubility data. The variation in the maraviroc solubility was dependent upon the hydrogen-bond donation and cavity term in n-propanol + water and ethanol + water mixtures; and the cavity term was the dominant term in the (DMSO + water) and (DMF + water) mixtures. Quantitative study was made for the local mole fraction of ethanol (n-propanol, D...

Source: The Journal of Chemical Thermodynamics - January 3, 2020 Category: Chemistry Source Type: research