A case study of the MassChemSite Reaction Tracking Workflow: Detecting and identifying byproducts during PROTAC synthesis

68th ASMS Conference on Mass Spectrometry and Allied Topics Reboot. Online. June 2020


PROTACs are heterobifunctional small molecules composed of a ligand for a protein of interest (POI) and an E3 ligase recruiter connected through a linker.1 Instead of inhibiting the protein functions, PROTACs promote the formation of a ternary complex with POI and E3 ligase, inducing POI poly-ubiquitylation and its successive proteasomal-dependent degradation. 

This appealing technology has already attracted great attention from both academia and industry, and the optimization of PROTACs’ synthetic procedures is now needed. As an example, to automatically find byproducts formed during the synthesis of PROTAC, in this poster we will present the use of the Reaction Tracking workflow included in MassChemsite. This workflow is designed for untargeted multicomponent reactions.