Wide-range log P_<o/w> estimation of drug-related compounds by flow-injection analysis combined with a novel two-phase solvent partitioning

采用流动注射分析（FIA）和新型两相溶剂分配相结合的方法，建立了高通量测定高疏亲水性化合物分配系数(K)的方法。51种标准化合物的测得K值，尤其是对数K值与其（基于文献的）对数P（P：辛醇/水两相体系分配系数）值密切相关。对数P值与对数K值之间的关系表示为“log P=2.849×log K-0.1576”的相关方程。因此，通过FIA测量K值和相关方程的结合，可以从测量的对数K值（+3~-3）中估计出大量化合物的大范围对数P值（+8~-8）。在本研究中，利用上述方法获得了高极性氨基酸、多肽、核苷酸的估计log P值。

High-throughput method for measuring a partition coefficient(K) of highly hydrophobic and/or hydrophilic compound was established by flow-injection analysis(FIA) combined with novel two-phase solvent partitioning. The measured K values of 51 kinds of standard compounds, especially their log K values were closely related to their(literature-based) log P(P : partition coefficient between octanol/water two-phase system) values. The relationship between the log P and the log K values was expressed as the correlating equation "log P=2.849×log K-0.1576". Therefore the combination of the K measurement by FIA and the correlating equation enable to estimate a wide-range log P values(+8～-8) of a huge variety of compounds from their measured log K values(+3～-3). In this study, the estimated log P values of highly polar amino acids, peptides, nucleotides were obtained by the above method.