Quantitative structure-retention and retention-activity relationships of beta-blocking agents by micellar liquid chromatography

Sixteen beta -blocking agents (acebutolol, alprenolol, atenolol, bisoprolol , carteolol, celiprolol, esmolol, labetalol, metoprolol, nadolol, oxprenolo l, pindolol. practolol, propranolol, sotalol and timolol) showing a large r ange of hydrophobicity (octanol-water partition coefficients, log P between -0.025 and 2.81) were subjected to micellar liquid chromatography with sod ium dodecyl sulfate as micelle forming agent, and n-propanol as organic mod ifier. The correlation between log P and the retention factor extrapolated to a mobile phase free of micelles and organic modifier was investigated. T he use of an interpolated retention factor or the retention factor for spec ific individual experimental mobile phases was however advantageous since t he retention factors of all beta -blocking agents were measurable in the se lected mobile phases. Good correlations with log P and with in vitro biolog ical parameters (cellular permeability coefficients in Caco-2 monolayers an d apparent permeability coefficients in rat intestinal segments) were found . (C) 2001 Published by Elsevier Science B.V.