Availability of TCMDC-123812 and TCMDC-123794

Published by MatTodd on 27 August 2011 - 11:51am

We're starting open source drug discovery for malaria. We have to start somewhere: in this case a couple of known compounds that showed good activity and have plenty of possibilities for modification - compounds contained in the open deposition of malaria data from 2010, originating from GSK's Tres Cantos lab.

Before getting too excited about these leads, we must validate them, meaning we need to obtain samples and screen. Paul Ylioja is currently making these compounds, and the chemistry is going very well, helped in part by his pyrrole wizardry. Please analyze and comment on the lab book, particularly if you're a synthetic organic chemist.

SciFinder and Google searches on the SMILES/InChIs for these structures throw up very little, but it turns out they are commercially available from a number of suppliers (Paul first spotted this). We corresponded with Felix Calderon at GSK Tres Cantos, who said that, indeed, these compounds had been bought in from the Enamine library. Tres Cantos have stock of these compounds in Madrid, and have kindly offered to look into them further if needed. Potential evaluation will be dealt with in another post elsewhere.
Given we will be wanting to modify the structures, we need to be able to synthesize them rather than buy them.

But I wonder why these compounds were made in the first place?