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Determination of log P coefficients via a RP-HPLC column
Determination of log P coefficients via a RP-HPLC column
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机译:通过RP-HPLC色谱柱测定log P系数
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摘要
This invention provides a RP-HPLC method, for the determination of logPoct values, which combines ease of operation and high accuracy, and which has been shown to work for a set of 36 molecules largely comprised of drugs. The general features of the method are: i) compound sparing (≦1 mL of a 30-50 &mgr;g/mL solution needed), ii) rapid determinations (20 minutes on average), iii) low sensitivity to impurities, iv) wide lipophilicity range (6 logPoct units), v) good accuracy, vi) excellent reproducibility. A linear free energy relationship (LFER) analysis, based on solvation parameters, shows that the method encodes the same information obtained from a shake-flask logPoct determination. The value generated via this method is referred to as ElogPoct .
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机译:本发明提供了一种用于确定logP oct Sub>值的RP-HPLC方法,该方法结合了操作简便和高精度的优点,并且已经证明可用于一组主要由药物组成的36个分子。该方法的一般特征是:i)节省化合物(约1mL所需的30-50 mg / mL溶液),ii)快速测定(平均20分钟),iii)对杂质的敏感性低,iv )宽的亲脂性范围(6 logP oct Sub>个单位),v)准确性好,vi)再现性极好。基于溶剂化参数的线性自由能关系(LFER)分析表明,该方法对从摇瓶logP oct Sub>测定中获得的相同信息进行编码。通过此方法生成的值称为ElogP oct Sub>。
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