Ugi Reactions "To Do List"

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Feb 6, 2008, 1:00:06 PM2/6/08
to UsefulChem
Here's is another thing I've been working on to cut down the time
required for lab preparation. I just started a new Google Document in
which I'm sort of combining a bunch of the other documents we've been
using. I'm listing the ranks and SMILES of the compounds that need to
be done next. In this table I am also listing the compounds needed to
complete the reaction. This is half of the preparation we have to do.

What do you think of this idea: We can highlight the cells of each
product to indicate that the amount of reagents have been calculated
and placed in the Ugi Chemical Table that I made a couple weeks ago,
which should indicate that the reaction is ready to be started. Then
perhaps we can highlight the cells a different color or remove them
completely after the reaction is completed?

I think planning reactions like this might make it possible for us to
keep tabs on what people are working on, preventing repeated
experiments and calculations and saving time. This also could allow
researchers to share their work, so for example one person can do the
preparation and another can actually complete the experiment.

Let me know what you think, I'm updating the table right now but I
will be sharing it with the lab collaborators within the next couple


Feb 6, 2008, 6:13:13 PM2/6/08
to UsefulChem
Alright I finished all the rest of the ranks up to 50 on V1, they are
in this table

I sent an email to share it with the collaborators, except Tim because
I didn't have your gmail. The ones highlighted in green have chemicals
which are already in the Ugi Chemicals Table and are ready to be done
in the lab. So, we can all work from this list, and we need to decide
on how to note on the table when something has been completed. Also,
it would be great if when we get a chance to look at the experiments
that need calculations done to do them and enter them into the other
spreadsheet so we can start getting this experiments done much more

Let me know what you think!

Jean-Claude Bradley

Feb 6, 2008, 6:45:54 PM2/6/08
Great idea Shannon!
I would suggest including the top 100 from both the V1 and V2 receptor sites.  The V2 products seems to have a lot of the TOSMIC isocyanide, which is great because it does not stink.  It would also be good to test some products from the V2 site to see if the V1 targets really show special activity against falcipain-2. 
We could then ask Rajarshi to apply his model to predict precipitation and track its accuracy as we go.  (Sorry Rajarshi I didn't get back to you about your last post predicting solubility in methanol - we're mainly trying to streamline things to get Ugi products made and tested as quickly as possible.  In doing this we should gather at least 100 results for solubility as well).

Note about GoogleDocs - when you invite people select for the ability for them to invite other people.  That way Tim could invite himself with any address he likes.

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