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Which amines should we purchase/synthesise next? #207

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alintheopen opened this Issue May 15, 2014 · 4 comments

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alintheopen commented May 15, 2014

@tscmacdonald and I have been synthesising some amides based on commercially available amines (and some found in cupboards in our lab). Are there any particular amines that would be of interest to incorporate into the triazolopyrazine scaffold?
The question of which amides to synthesise next was raised on the OSM Blog (http://malaria.ourexperiment.org/uri/554) and Inga performed a nice literature search to find commercially available secondary amines (http://malaria.ourexperiment.org/uri/4d4) and primary amines (http://malaria.ourexperiment.org/uri/4b2).

Are there any amines that look particularly attractive? (pinging @PaulWillisMMV, @murrayfold and @cdsouthan)

We can also synthesise some amines of course so any ideas (as always) are very welcome.

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cdsouthan May 15, 2014

Suggest you wang whatever you already have over to be assayed first. You can then make SAR based choices for next steps

cdsouthan commented May 15, 2014

Suggest you wang whatever you already have over to be assayed first. You can then make SAR based choices for next steps

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tscmacdonald May 16, 2014

This has already happened; compounds were shipped last Friday. It would just be nice to keep synthesising useful molecules while we wait for the results.

tscmacdonald commented May 16, 2014

This has already happened; compounds were shipped last Friday. It would just be nice to keep synthesising useful molecules while we wait for the results.

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mattodd May 17, 2014

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I believe I'm right in thinking we haven't shared the list of compounds sent for testing? Will create separate issue. That current list needs to be digested along with what's known of the amides already evaluated, shown at http://openwetware.org/wiki/OpenSourceMalaria:Triazolopyrazine_%28TP%29_Series#Pyrazine_side-chain_modifications_-_amides

I'd agree we might want to hold off on more specific synthesis plans until we have data on the current set, however it might be nice to try to spot features we've not currently addressed, or to consider groups likely to lower logP, given that this is one of the background aims of the project at this stage.

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mattodd commented May 17, 2014

I believe I'm right in thinking we haven't shared the list of compounds sent for testing? Will create separate issue. That current list needs to be digested along with what's known of the amides already evaluated, shown at http://openwetware.org/wiki/OpenSourceMalaria:Triazolopyrazine_%28TP%29_Series#Pyrazine_side-chain_modifications_-_amides

I'd agree we might want to hold off on more specific synthesis plans until we have data on the current set, however it might be nice to try to spot features we've not currently addressed, or to consider groups likely to lower logP, given that this is one of the background aims of the project at this stage.

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mattodd commented Jun 29, 2014

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