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Optimised Method to Estimate Octanol Water Distribution Coefficient (logD) in a High Throughput Format

Low, Ivan and Blasco, Francesca and Vachaspati, Prakash (2016) Optimised Method to Estimate Octanol Water Distribution Coefficient (logD) in a High Throughput Format. European Journal of Pharmaceutical Sciences, 92. pp. 110-116. ISSN 0928-0987

Abstract

Lipophilicity is one of the molecular properties assessed in early drug discovery. Direct measurement of the octanol-water distribution coefficient (logD) requires an analytical method with a large dynamic range or multistep dilutions, as the analyte concentrations span across several orders of magnitude. In addition, the different water/buffer and octanol phases could differently affect the LC-MS response, leading to erroneous logD values. Although various methodologies have been employed to overcome challenges when measuring logD in higher throughput, there is no single literature that summarizes the best practices for the assay. The present work describes the development of an optimised shake flask logD method amenable to high throughput. Issues related to matrix effects, DMSO concentration and incubation conditions are addressed.

Item Type: Article
Date Deposited: 21 Jul 2016 00:45
Last Modified: 22 Jul 2016 00:45
URI: https://oak.novartis.com/id/eprint/28443

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