High-throughput preparative HPLC-MS purification workflow of libraries within the European Lead Factory
Raquel Ortega, Martyna Bielska, Xenia Iwanowa, Anna Karawajczyk, Andreas Tei
Molecules 2018, 23, 2545 doi:10.3390/molecules23102545;
The Agilent OpenLAB CDS Automated Purification Software developed by Agilent Technologies in a close collaborative project with Taros was fully implemented creating automated purification workflows based on reversed phase high performance liquid chromatography (HPLC) and mass spectrometry (MS). The system is suitable for a smart combination of UV- and mass-based fraction triggering and the automated transfer of data between each single process streamlining the workflow for highest productivity as the purification of crude products is usually the most time consuming part of organic compound preparation. A fine tuning has been made from the chemist, modifying the slope offsets due to the chromatographic diversity of the different compound classes. The slope offsets have been saved in template files. Different template files have been used to purify difficult batches of compounds. The results and statistics collected from analytic and purification (retention time, reactivity, validation of chemistry and purification) have a high intrinsic value for the design, validation synthesis and production of new libraries.
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