Thermodynamic Correlation between Liquid-Liquid Phase Separation and Crystalline Solubility of Drug-Like Molecules

Thermodynamic Correlation between Liquid-Liquid Phase Separation and Crystalline Solubility of Drug-Like Molecules

The purpose of the present study was to experimentally confirm the thermodynamic correlation between the intrinsic liquid−liquid phase separation (LLPS) concentration (S0LLPS) and crystalline solubility (S0c) of drug-like molecules. Based on the thermodynamic principles, the crystalline solubility L...

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Veröffentlicht in:Pharmaceutics 2022-11, Vol.14 (12), p.2560
Hauptverfasser: Uekusa, Taiga, Watanabe, Tomohiro, Watanabe, Daiju, Sugano, Kiyohiko
Format: Artikel
Sprache:eng
Schlagworte:
Analysis
Crystal lattices
Crystalline polymers
Crystallization
drug-like
Health aspects
intrinsic solubility
Lasers
liquid–liquid phase separation
melting point
Nonsteroidal anti-inflammatory drugs
Phase transformations (Statistical physics)
Sodium
Solubility
Thermodynamics
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Zusammenfassung:The purpose of the present study was to experimentally confirm the thermodynamic correlation between the intrinsic liquid−liquid phase separation (LLPS) concentration (S0LLPS) and crystalline solubility (S0c) of drug-like molecules. Based on the thermodynamic principles, the crystalline solubility LLPS concentration melting point (Tm) equation (CLME) was derived (log10S0C=log10S0LLPS−0.0095Tm−310 for 310 K). The S0LLPS values of 31 drugs were newly measured by simple bulk phase pH-shift or solvent-shift precipitation tests coupled with laser-assisted visual turbidity detection. To ensure the precipitant was not made crystalline at
ISSN:1999-4923
1999-4923
DOI:10.3390/pharmaceutics14122560