Solubility Data and Computational Modeling of Baricitinib in Various (DMSO + Water) Mixtures

The solubility and thermodynamic analysis of baricitinib (BNB) in various dimethyl sulfoxide (DMSO) + water mixtures were performed. The "mole fraction solubilities ( )" of BNB in DMSO and water mixtures were determined at " = 298.2-323.2 K" and " = 0.1 MPa" using an is...

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Veröffentlicht in:	Molecules (Basel, Switzerland) Switzerland), 2020-05, Vol.25 (9), p.2124
Hauptverfasser:	M Alshahrani, Saad, Shakeel, Faiyaz
Format:	Artikel
Sprache:	eng
Schlagworte:	activity coefficient Activity coefficients Antineoplastic Agents - chemistry Azetidines - chemistry baricitinib co-solvency models Computer applications Dimethyl sulfoxide Dimethyl Sulfoxide - chemistry Drug dosages Enthalpy Janus Kinase Inhibitors - chemistry Models, Molecular Molecular interactions Molecular Structure Purines - chemistry Pyrazoles - chemistry Solubility Solubility parameters Solvation Solvents Solvents - chemistry Sulfonamides - chemistry Thermodynamics Water - chemistry
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Beschreibung
Zusammenfassung:	The solubility and thermodynamic analysis of baricitinib (BNB) in various dimethyl sulfoxide (DMSO) + water mixtures were performed. The "mole fraction solubilities ( )" of BNB in DMSO and water mixtures were determined at " = 298.2-323.2 K" and " = 0.1 MPa" using an isothermal saturation technique. "Hansen solubility parameters (HSPs)" of BNB, pure DMSO, pure water and "DMSO + water" mixtures free of BNB were also estimated. The data of BNB was regressed well by five different thermodynamics-based co-solvency models, which included "Apelblat, Van't Hoff, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff models" with overall deviations of
ISSN:	1420-3049 1420-3049
DOI:	10.3390/molecules25092124