Characterisation of selected active agents regarding pKa values, solubility concentrations and pH profiles by SiriusT3

European Journal of Pharmaceutics and Biopharmaceutics : Official Journal of Arbeitsgemeinschaft Für Pharmazeutische Verfahrenstechnik E.V
D SchönherrW Weitschies

Abstract

The aim of this work was to determine pKa values and solubility properties of 34active agents using the SiriusT3 apparatus. The selected drug substances belong to the groups of ACE-inhibitors, β-blockers, antidiabetics and lipid lowering substances. Experimentally obtained pKa and intrinsic solubility values were compared to calculated values (program ACD/ChemSketch) and pKa values to published data as well. Solubility-pH profiles were generated to visualise the substance solubility over the gastrointestinal pH range. The relationship between the solubility characteristic of a substance, its bioavailability and categorisation according to the Biopharmaceutics Classification System (BCS) was examined as well. The results showed a good agreement between experimentally obtained, calculated and published pKa values. The measured and calculated intrinsic solubility values indicated several major deviations. All solubility-pH profiles showed the expected shape and appearance for acids, bases or zwitterionic substances. The obtained results for the pKa and solubility measurements of the examined active agents may help to predict their physicochemical behaviour in vivo, and to understand the bioavailability of the substances according ...Continue Reading

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Citations

Jul 2, 2016·The Journal of Pharmacy and Pharmacology·Kelly EthersonMoira Elliott
Nov 7, 2019·Drug Development and Industrial Pharmacy·Ebtesam W ElsayedLaila H Emara
Jul 14, 2018·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·Rebecca N AdamekSeth M Cohen
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Apr 21, 2021·Trends in Pharmacological Sciences·Pratikkumar PatelKun Cheng
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Jun 11, 2020·ACS Infectious Diseases·Marco SaedtlerLorenz Meinel
Aug 17, 2020·Journal of Chemical Information and Modeling·Antonio LlinasAlex Avdeef

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