Molecular Libraries Small Molecules Repository (MLSMR) is the NIH compound collection designed for biochemical probe and drug discovery screening (http://mli.nih.gov/mli/compound-repository/). The collection of about 400,000 individual compounds was initiated in 2004. Each compound passed acceptance criteria: purity and identity by LCMS analysis. The storage conditions are mild: nitrogen atmosphere, -20�C. Working solutions, 10mM in DMSO, undergo periodic thawing for distribution to screening centers and QC analysis is performed to verify integrity. We have begun to look in detail at the samples that failed QC after storage. The effort is to find trends in stability that can be used in selection criteria for library enhancement. We have found examples of hydrolysis, oxidation and condensation reactions including rapid hydrolysis of specific esters and amides, aromatization and the condensation of a secondary amine with carbon dioxide to produce a symmetrical urea.

Reactions during storage of the molecular libraries small molecule repository

245th National Meeting (2013)

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