"A MEDCHEM-FACTORY : Integrating High-Throughput Synthesis and Purification to Efficiently Deliver High-Quality Compounds for Discovery."

Scynexis - Dr. Scot Huber

Abstract:

We will present the challenges and solutions of integrating parallel synthesis with the purification and analytical QC processes of discovery-library production. To reduce the time from concept to hit, and hit to lead, we have employed IT and automation technologies that integrate the entire compound supply pathway from design to delivery in a single-contiguous, process. This presentation will focus on the key technical issues that every discovery operation must tackle to ensure that quality chemistry is efficiently delivered for biological evaluation: compound design, production, recovery, purity, identity, and distribution.

In the MEDCHEM FACTORY, parallel synthesis and analytical tasks are implemented as modules within an automated chemistry factory. Each module performs an expert function and communicates data and methodology through a central software suite, the Hit Explorer Operating System (HEOS). The HEOS suite collects data on intermediates and products, makes intelligent decisions, drives instrumentation, and reports all the data in a variety of formats. The modules of a high-throughput purification and characterization system can be used independently for quality control of existing libraries (QC), or as a comprehensive solution for purification, QC, and distribution of libraries. For example, we will demonstrate how the analytical QC step automatically correlates structural information with MS data to provide confirmation of compound identity. Several real chemistry examples will be provided to illustrate the process and techniques.