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English

Fast log P determination by ultra-high-pressure liquid chromatography coupled with UV and mass spectrometry detections

Contributors

Henchoz, Yveline; Guillarme, Davy; Martel, Sophie; Rudaz, Serge; Veuthey, Jean-Luc; Carrupt, Pierre-Alain

Published in

Analytical & bioanalytical chemistry, vol. 394, no. 7, p. 1919-1930

Collection

  • Open Access - Licence nationale Springer

Publication date

2009

Abstract

Ultra-high-pressure liquid chromatography (UHPLC) systems able to work with columns packed with sub-2 microm particles offer very fast methods to determine the lipophilicity of new chemical entities. The careful development of the most suitable experimental conditions presented here will help medicinal chemists for high-throughput screening (HTS) log P(oct) measurements. The approach was optimized using a well-balanced set of 38 model compounds and a series of 28 basic compounds such as beta-blockers, local anesthetics, piperazines, clonidine, and derivatives. Different organic modifiers and hybrid stationary phases packed with 1.7-microm particles were evaluated in isocratic as well as gradient modes, and the advantages and limitations of tested conditions pointed out. The UHPLC approach offered a significant enhancement over the classical HPLC methods, by a factor 50 in the lipophilicity determination throughput. The hyphenation of UHPLC with MS detection allowed a further increase in the throughput. Data and results reported herein prove that the UHPLC-MS method can represent a progress in the HTS-measurement of lipophilicity due to its speed (at least a factor of 500 with respect to HPLC approaches) and to an extended field of application.

Keywords

  • Lipophilicity
  • UHPLC
  • Reversed-phase liquid chromatography
  • Partition coefficients
  • Physicochemical profiling

UNIGE affiliation entities

Citation (ISO format)

HENCHOZ, Yveline et al. Fast log P determination by ultra-high-pressure liquid chromatography coupled with UV and mass spectrometry detections. In: Analytical & bioanalytical chemistry, 2009, vol. 394, n° 7, p. 1919–1930. doi: 10.1007/s00216-009-2862-1

Main files (1)

Article (Published version)

Identifiers

Additional URL for this publication

http://www.springerlink.com/content/94164618m558h766/fulltext.pdf

Journal ISSN

1618-2642
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520downloads

Technical informations

Creation

24/07/2009 09:17:00

First validation

24/07/2009 09:17:00

Update

14/03/2023 15:10:08

Status update

14/03/2023 15:10:08

Last indexation

18/03/2025 09:17:34
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