Revising/correcting our data on N/S linked pyrazine side chain compounds

[david1597]

We're discovering that a number of compounds may not be what we thought they were, and that some N-linked and S-linked pyrazine side chains that have been evaluated (and shown to be not potent) are actually substituted at the 8-position and not the 5-position.

Once we're sure on the actual identities, we'll need to fix these data. This issue will remain open to serve as a reminder - and for discussion if necessary - until these revisions are applied.

[edwintse]

We have reviewed our existing structures and found a number of previously made compounds which are actually 8-substituted. As of now, the structures have been corrected on the Master List and on ScienceCloud. MMV numbers will remain the same. A comment has been left on ScienceCloud to indicate the change "Structure revised from 5-substituted to 8-substituted (XX/XX/18)".

The first 3 compounds below were made by Jo Ubels but were tested prior to ScienceCloud so are not there. These have just been changed on the Master list.

These next 7 compounds have been changed on both databases to the corresponding 8-substituted products. Existing structures on the wiki will now need to be updated to reflect these changes @mattodd. structures to change chemdraw.zip

[mattodd]

Paul Willis at MMV has kindly agreed to contact the CRO that originally conducted some of this chemistry to ask for original NMR data. @edwintse @maratsydney (and @david1597 if you're listening...) can you assemble a list of compounds of particular interest that were inherited - we need the MMV numbers, obviously - so that we can pass those on to see if we can find the data. If the compounds were originally made by Pfizer then we won't be able to get hold of those data, but let's see.