title: Improvement of the high-speed logD assay using an injection marker for the water plug aspiration/injection method.
abstract: An improved method for the high-speed assay for logD (HSLogD) employing an injection marker is described. The critical process of HSLogD is automated sampling of the water phase, which prevents contamination from the octanol phase. However, deployment of HSLogD sometimes produces incorrect and inaccurate values compared with data from closely related methods due to low solubility of compounds or instrument problems. Therefore, careful manual inspection of data is needed to confirm the results obtained by this method. To solve this problem, compounds were screened for suitability as injection markers and 2-(4-methoxyphenoxy)-4,8-dimethylquinoline was the most suitable compound examined. Introduction of the injection marker into the process successfully eliminated the need for the tedious and time-consuming manual inspection process.
authors.affiliation: Tsukuba Research Institute, Banyu Pharmaceutical Co, Tsukuba, Ibaraki, Japan. ikuko_nishimura@merck.com
authors.forename: Ikuko
authors.initials: I
authors.lastname: Nishimura
authors.forename: Atsushi
authors.initials: A
authors.lastname: Hirano
authors.forename: Taro
authors.initials: T
authors.lastname: Yamashita
authors.forename: Takehiro
authors.initials: T
authors.lastname: Fukami
mesh_terms: D000465:Algorithms; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D006863:Hydrogen-Ion Concentration; D057927:Hydrophobic and Hydrophilic Interactions; D008055:Lipids / Q000737:chemistry; D013058:Mass Spectrometry / Q000379:methods*; D000442:Octanols / Q000737:chemistry; D011804:Quinolines / Q000737:chemistry; D012015:Reference Standards; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012995:Solubility; D014867:Water / Q000737:chemistry
chemical_list: D008055:Lipids; D000442:Octanols; D011804:Quinolines; D014867:Water