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- W2023751521 abstract "Automated log P, pK(a), solubility, and chemical stability systems comprise an integrated process that provides early stage physicochemical property data to the discovery research organization. Capillary electrophoresis (CE) techniques are used to experimentally determine pK(a) and log P. Solubility is determined using a quasi-equilibrium approach employing sample quantitation by flow injection analysis with ultraviolet (UV) detection at 256 nm. Chemical stability is assessed by challenging compounds with pH 2, pH 7, pH 12, and 3% hydrogen peroxide solutions overnight, and comparing the chromatographic profiles of the stability challenged solutions to that of a freshly prepared control. Validation of the log P method using a set of drug-like compounds demonstrates that the method yields log P values within +/-0.5 units of literature values. The log P method is valid over the range -0.5-5.0, and the technique is compatible with acidic, neutral, and basic compounds. The pK(a) technique yields results within +/-0.2 units of corresponding values obtained by potentiometric titration over a pK(a) range of 2 to 12. Solubility is reported in a 3-60 microg/mL range, and the results are generally within 20% of values measured by equilibrium solubility techniques. The current level of automation supports the measurement of the physicochemical properties of 100 compounds per week. Physicochemical property data for approximately 2000 compounds have been generated to date." @default.
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- W2023751521 date "2001-08-01" @default.
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- W2023751521 title "An integrated process for measuring the physicochemical properties of drug candidates in a preclinical discovery environment" @default.
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- W2023751521 doi "https://doi.org/10.1002/jps.1070" @default.
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