학술논문
Band‐selective excitation NMR spectroscopy and quantitative time‐domain analysis using Complete Reduction to Amplitude‐Frequency Table (CRAFT) to determine distribution coefficients during drug development.
Document Type
Article
Author
Source
Subject
*NUCLEAR magnetic resonance spectroscopy
*DRUG development
*TIME-domain analysis
*QUANTITATIVE research
*OPTICALLY stimulated luminescence
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Language
ISSN
0749-1581
Abstract
A sensitive quantitative 1H NMR method for determining distribution or partition coefficients has been developed that is applicable to early drug discovery. After partitioning and equilibration, aliquots from each layer are analyzed using band‐selective excitation 1H NMR spectroscopy in regions that are free of 1‐octanol and water solvent signals. Signals are quantitated directly using CRAFT software, and their amplitudes are adjusted to correct for nonuniformity within the excitation band. Using this approach, the distribution coefficients for 20 drugs present at low concentrations were determined giving values that were in excellent agreement with literature values. [ABSTRACT FROM AUTHOR]