Abstract
The solubilization, Hansen solubility parameters (HSPs) and apparent thermodynamic parameters of a novel anticancer medicine osimertinib (OMT) in binary propylene glycol (P) + water (W) cosolvent mixtures were evaluated. The mole fraction solubility (xe) of OMT in various (P + W) cosolvent mixtures including neat P and neat W was determined at T = 298.2-318.2 K and p = 0.1 MPa by applying a saturation shake flask method. HSPs of OMT, neat P, neat W and (P + W) cosolvent compositions free of OMT were also estimated. The xe values of OMT were regressed with Van't Hoff, modified Apelblat, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff models with an average errors of <3.0 %. The highest and lowest xe value of OMT was estimated in neat P (2.70 × 10-3 at T = 318.2 K) and neat W (1.81 × 10-5 at T = 298.2 K), respectively. Moreover, HSP of OMT was found to be closed with that of neat P. The solubility of OMT was found to be increased significantly with an increase in temperature and P mass fraction in all (P + W) cosolvent compositions including neat P and neat W. The results of activity coefficients suggested higher molecular interactions in OMT-P combination compared with OMT-W combination. The results of thermodynamic studies indicated an endothermic and entropy-driven dissolution of OMT in all (P + W) cosolvent compositions including neat P and neat W.
| Original language | English |
|---|---|
| Pages (from-to) | 977-992 |
| Number of pages | 16 |
| Journal | Zeitschrift fur Physikalische Chemie |
| Volume | 235 |
| Issue number | 8 |
| DOIs | |
| State | Published - 1 Aug 2021 |
Keywords
- Apparent thermodynamics
- computational models
- cosolvent mixtures
- Osimertinib
- propylene glycol
- solubility