2011 Fiscal Year Final Research Report

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

Research Project

Project/Area Number	21590047
Research Category	Grant-in-Aid for Scientific Research (C)
Allocation Type	Single-year Grants
Section	一般
Research Field	Physical pharmacy
Research Institution	Tokyo University of Pharmacy and Life Science
Principal Investigator	YANAGIDA Akio 東京薬科大学, 薬学部, 准教授 (40318192)
Co-Investigator(Renkei-kenkyūsha)	SHIBUSAWA Yoichi 東京薬科大学, 薬学部, 教授 (10102708)
Project Period (FY)	2009 – 2011
Keywords	分析化学 / log P / オクタノール/水二相溶媒系 / FIA / アミノ酸 / 核酸 / 薬物
Research Abstract	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.