Hydrophobicity Parameters Determined by Reversed-Phase Liquid Chromatography. XV : Optimal Conditions for Prediction of log P_oct by Using RP-HPLC Procedures

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概要

• 論文の詳細を見る

• The use of log k derived from reversed phase (RP)-HPLC retention times provides a convenient method for estimating log P_oct values (P_oct: 1-octanol/water partition coefficient). In order to establish optimal HPLC conditions, the difference between chromatographic (C18 modified column and aqueous methanol eluents) and bulk solvent systems was examined by use of a batch-like equilibration with octane/aqueous methanol. Comparison of values for log P_O/M-W (log P for the Octane/MeOH-Water partitioning system) and log k measured for monosubstituted pyrazines at different methanol concentrations, showed closest correlation (r, 0.94) with 50% aqueous methanol; and importantly, under these conditions, log k shows even better correlation (r, 0.99) with log P_oct. Effects of residual silanols on HPLC retention with C18 stationary phases were examined. The results show that, in the presence of a small quantity of accessible silanols, the use of 50% aqueous methanol (M50) as eluent yields values of log k directly proportional to log P_oct in accord with our earlier proposal that use of log k_M50 provides a convenient means for rapid estimation and prediction of log P_oct.

• 公益社団法人日本薬学会の論文
• 2002-12-01

著者

• YAMAGAMI Chisako

  Kobe Pharmaceutical University

• Yamagami C

  Kobe Pharmaceutical Univ. Kobe Jpn

• KAWASE Kaname

  Kobe Pharmaceutical University

• IWAKI Kyoko

  Kobe Pharmaceutical University

• Iwaki K

  Kobe Pharmaceutical University

• Kawase K

  Kobe Pharmaceutical University

• Yamagami Chisako

  Kobe Pharmaceutical Univ. Kobe Jpn

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