Synthesis and diversity analysis of lead discovery piperazine-2-carboxamide libraries
Timothy F. Herpin, George C. Morton, Allison K. Dunn, Cedric Fillon, Paul R. Menard, Sheng Yu Tang, Joseph M. Salvino, Richard F. Labaudinière
Abstract
A Lead Discovery Library of piperazine-2-carboxamide derivatives was
produced for general screening. This paper discloses two novel solid
phase synthetic routes used to produce 15 000 single compounds via the
Irori directed sorting technique. Computational methods such as reagent
clustering and library profiling were used to maximize reagent diversity
and optimize pharmacokinetic parameters. The results of a four center
pharmacophore analysis revealed the added diversity gained by using two
independent synthetic routes.
Keywords
combinatorial chemistry, directed sorting, diversity analysis, four center
pharmacophore, lead discovery, piperazine-2-carboxamide, solid phase
synthesis
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