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Updated: Sep 15, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
Published on: September 20, 2017
Solubility Modeling for Key Organic Compounds Used in Adavosertib (Anticancer API) Manufacturing
Matthew Blair1, Mazaher M Chalchooghi2, Robert J Cox2
1Institute for Materials and Processes (IMP), School of Engineering, University of Edinburgh, The King's Buildings, Edinburgh EH9 3FB, United Kingdom.
Abstract:
The solubility of organic compounds plays an important role in pharmaceutical manufacturing since key unit operations such as reactors, crystallizers, and solvent extraction units all rely on successful reagent and product dissolution. Consequently, predictive solubility modeling is very useful when developing new pharmaceutical processes, so as to minimize the experimentation required to understand the solubility of new molecular entities (NMEs). The present paper has thus employed the Non-Random Two-Liquid Segment Activity Coefficient (NRTL-SAC) model to describe the solubility of six organic compounds used in the production of an experimental anticancer drug, Adavosertib (specifically: AZD1775 Adavosertib Maleate, AZD1775 Aniline Maleate, AZD1775 Nitropip, AZD1775 Hydroxymethylsulfanyl, AZD1775 Bromopyridine.HBr, and AZD1775 Pyrimidine). The NRTL-SAC model has also been employed to estimate the melting temperature and enthalpy of fusion of these compounds, circumventing various difficulties arising in direct measurements (e.g., endothermic/exothermic phenomena near the melting point).
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