【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(logP)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logk’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logkw值,并用于表征化合物logP值。测得各药物对照品logkw与文献报道"摇瓶法"测得logP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。更多还原

【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.更多还原