祝 辉 杨日芳 恽榴红 姜玉 李锦. 应用反相离子对色谱同时测定酸、碱及两性药物辛醇/水分配系数J. 药学学报, 2009,44(9): 1025-1028.
引用本文: 祝 辉 杨日芳 恽榴红 姜玉 李锦. 应用反相离子对色谱同时测定酸、碱及两性药物辛醇/水分配系数J. 药学学报, 2009,44(9): 1025-1028.
CHU Hui, Yang-Ri-Fang, YUN Liu-Gong, JIANG Yu, LI Jin. Application of reversed-phase ion-pair chromatography for universal estimation of octanol-water partition coefficients of acid, basic and amphoteric drugsJ. 药学学报, 2009,44(9): 1025-1028.
Citation: CHU Hui, Yang-Ri-Fang, YUN Liu-Gong, JIANG Yu, LI Jin. Application of reversed-phase ion-pair chromatography for universal estimation of octanol-water partition coefficients of acid, basic and amphoteric drugsJ. 药学学报, 2009,44(9): 1025-1028.

应用反相离子对色谱同时测定酸、碱及两性药物辛醇/水分配系数

Application of reversed-phase ion-pair chromatography for universal estimation of octanol-water partition coefficients of acid, basic and amphoteric drugs

  • 摘要:

    建立一种适合同时测定酸、碱及两性药物辛醇/水分配系数 (log P) 的反相离子对色谱 (RP-IPC) 方法。基于有机相比例ф变化与相应的色谱保留参数log k' 值之间的线性关系, 回归计算相对于100 % 水相时分析物色谱保留log kw, 并用于表征化合物log P值。测得各药物对照品log kw与文献报道摇瓶法测得log P值接近, 平均差值为0.31。三氟乙酸反相离子对色谱提高了测定适用范围, 且准确度较高, 可用于一定范围内酸碱度不同药物辛醇/水分配系数的同时测定。

     

    Abstract:

    This paper is to establish a reversed-phase ion-pair chromatography (RP-IPC) method for universal estimation of the octanol/water partition coefficients (log P) of a wide range of structurally diverse compounds including acidic, basic, neutral and amphoteric species.  The retention factors corresponding to 100% water  (log kw) were derived from the linear part of the log k′/ф relationship, using at least four isocratic log k′ values containing different organic compositions.  The log kw parameters obtained were close to the corresponding log P values obtained with the standard “shake flask” methods.  The mean deviation for test drugs is 0.31.  RP-IPC with trifluoroacetic acid as non classic ion-pair agents can be applicable to determine the log P values for a variety of drug-like molecules with increased accuracy.

     

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