Abstract
The solubility values, various Hansen solubility parameters (HSPs) and thermodynamic behavior of emtricitabine (ECT) in twelve different pure solvents (PS) were estimated using various experimental as well as computational methods. Experimental solubility values (xe) of ECT in twelve different PS were obtained at T = 298.2 K to 318.2 K and p = 0.1 MPa. The xe values of ECT were correlated by “van’t Hoff, Apelblat and Buchowski-Ksiazaczak λh models”. Various HSPs for ECT and twelve different PS were also calculated using “HSPiP software”. The xe values of ECT were estimated maximum in polyethylene glycol-400 (PEG-400; 1.41 × 10−1), followed by ethylene glycol, Transcutol-HP, propylene glycol, methanol, water, isopropanol, ethanol, 1-butanol, dimethyl sulfoxide, 2-butanol and EA (1.28 × 10−3) at T = 318.2 K. “Apparent thermodynamic analysis” showed an “endothermic and entropy-driven dissolution” of ECT. Overall, PEG-400 was found as the best/ideal solvent for solubility/miscibility of ECT compared to other solvents studied.
Highlights
IntroductionIt is a synthetic nucleoside analog which is active against human immunodeficiency virus
Emtricitabine (ECT, (ECT, FigureFigure 1;1;chemical chemicalname: name: 4-amino-5-fluoro-1-[(2R,5S)-2Emtricitabine4-amino-5-fluoro-1-[(2R,5S)-2-(hy(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; molecular formula: CC8 8HS; droxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; molecular formula: H1010FN33 O33S;−11 molar mass: 247.24 g mol− CASRN: PubChem CID: 60877) occurs as a, CASRN: 143491-57-0 and PubChem CID: 60877) occurs white to white to off off white white powder powder [1,2]. [1,2]
polyethylene glycol-400 (PEG-400) was found as the best solvent for solubility/miscibility of ECT
Summary
It is a synthetic nucleoside analog which is active against human immunodeficiency virus. Temperaturedependent solubilities and other physicochemical parameters of ECT in other studied solvents are not reported elsewhere. Because the solubility data of ECT in most of the studied solvents is not reported in literature, this drug was chosen for this study. The solubility values, solubility parameters and other physicochemical data of ECT obtained in this study would be useful in “purification, recrystallization, drug discovery, pre-formulation studies and formulation development”
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