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High Throughput LogP Measurement Using Parallel LC/UV/MS and Sample-Pooling
Yining Zhao1*, Janan Jona2, David T. Chow1, Haojing Rong3, David Semin1, Xiaoyang Xia1, Roger
Zanon2, Chris Spancake2 and Ed Maliski1
1Small Molecule Analytical, 2Small Molecule Pharmaceutics and 3PKDM, Amgen Inc., One Amgen Center
Drive, Thousand Oaks, CA 91320, USA
A novel approach to high throughput logP measurement based on LC/UV/MS has been proposed. The
logP value is determined by correlation with the logk value, where k is the capacity factor k=(tr-t0)/t0, to the
logP value using a defined set of standards. Since the analyte retention time (tr) is determined from the
appropriate extracted ion chromatogram (EIC), there are no interferences from impurities and this allows
pooling multiple compounds into one injection. To ensure the accuracy and instrument robustness in a
routine high throughput environment, a simple and MS-friendly mobile phase consisting of 20 mM
ammonium carbonate (pH 8.0) for basic compounds or 20 mM ammonium formate (pH1.0) for acidic
compounds, both in combination with methanol at a ratio of 45:55, is used. This approach has been
successfully used on single as well as parallel multi-channel LC/UV/MS systems to screen small to large
sets of lead compounds and their analogs. A high throughput capability to analyze over 1000 compounds
per day has been achieved.


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TAG: 2011 cpsa 上海 摘要 示范 论文





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