CPSA, October 18-21, 2004

Accelerating Chiral Chromatographic Method Development with Software Tools

Abstract

For many pharmaceutical compounds, a single enantiomer possesses therapeutic activity, and often the opposite enantiomer has an adverse effect. Thus it is necessary to have an enantiomerically pure compound. One common approach is to separate a racemic mixture into its enantiomers using chiral chromatography. However, chiral method selection can be a challenge due to the influences of chemical structure on selectivity. Presently, there are over 180 commercially-available liquid chromatographic stationary phases, and selecting the appropriate stationary phase can be very time consuming. One common approach to chiral method development is to screen a series of columns and mobile phases. This process can be expensive in terms of time, materials and labor.

When developing a chiral separation method for a new compound, past experiments can provide clues to appropriate stationary and mobile phase selection. In general, the more similar two compounds are, the more likely that a related chiral method can be used for both compounds. A database of successful chiral separations that is searchable by chemical structure, fragment, or structure similarity can speed method development significantly. This paper will describe chiral method development using several databases. Strategies for structure-based searches will be discussed, and illustrative examples will be shown.

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Relevant Products: ChromManager, ChirBase