Screening of new chemical substances (NCE) and evaluation of physicochemical properties.
The measurement of pKa, log D, log S, and solubility of low molecular weight ionizable drugs, with automatic measurement of up to 14 small samples, provides highly reliable analytical data that streamlines the analysis of the physicochemical properties of NCEs (new chemical entities) in research institutions such as universities, pharmaceuticals, and CROs, expanding the possibilities of drug discovery. ★ Physicochemical property evaluation - Ionization state of drugs (changes due to pH and their impact on absorption) - Solvent interactions, distribution, precipitation, and changes in chemicals due to binding from pKa - Improved accuracy of ADME predictions and the impact of molecular changes on log P ★ Early screening of new chemical entities - Selection of optimal structures for lead compounds in the synthesis department through pKa measurements - Significant reduction in the difficulty of late-stage drug synthesis and clinical risks of drugs ★ Pre-formulation research Obtaining accurate information on the pKa, log D, and log S of compounds, evaluating the supersaturation formation capability of NCEs, and discovering available supersaturated drug delivery systems ★ High-throughput compound screening Bulk testing of NCEs (non-natural compounds) containing benzene rings using UV titration methods, achieving automatic measurement and high-throughput capabilities Providing advanced pKa testing programs even for NCEs with weak or no UV absorption spectra.
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basic information
Equipment Configuration: ★ PC (intuitive and user-friendly software) ★ Electronic balance (accurately weighs reagents, calculates logD, weight values are automatically read by PC) ★ NCE P3 main unit ・Analytical robotic arm (burette, UV probe, pH meter) ・Sample rack with dry heat and stirring function (standard: 14 pieces of 25ml beakers) Applications: ★ pKa measurement (dissociation parameters) uses a fiber optic system, pH meter, and precision solvent injection system ★ Log D/log P measurement (oil-water partition coefficient) uses a fiber optic system and peristaltic pump ★ log S measurement (solubility) uses a fiber optic system, pH meter, and precision solvent injection system
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Applications/Examples of results
Evaluation of physicochemical properties - Assessment of the ionization state of drugs (changes due to pH and their impact on absorption) - Evaluation of changes in chemicals due to solvent interactions, distribution, precipitation, and binding based on pKa - Improve the accuracy of ADME predictions and evaluate the impact of molecular changes on log P Early screening of new chemical substances - pKa measurements are useful for selecting the optimal structure of lead compounds in the synthesis department - This selection significantly reduces the difficulty of late-stage pharmaceutical synthesis and the clinical risk of drugs. Pre-formulation research Accurate information on the physicochemical properties of compounds, such as pKa, log D, and log S, is obtained. Evaluate the supersaturation formation capability of NCEs and discover available SDDS (supersaturated drug delivery systems). High-throughput compound screening Using UV titration methods, bulk testing of NCEs (non-natural compounds) containing benzene rings is achieved, enabling automated measurement and high-throughput capabilities. An advanced pKa testing program is provided even for NCEs with weak or no UV absorption spectra.
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Company information
Aivic Research was established with the aim of contributing to the improvement of healthcare by helping to enhance the data accuracy of dissolution testing through the provision of excellent dissolution testers and dissolution tester inspection services, as well as introducing the latest dissolution testing information by utilizing various pipes from overseas, thereby supporting the development of the pharmaceutical industry in Japan.
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