Aminothiazole analogues prepared at UCL School of Pharmacy

[eloizidou]

MYOS_samples_210723.xlsx Hello everyone, These are the analogues that were synthesized over the summer and awaiting biological evaluation. Regarding the synthesis of the analogues, it was pretty much straightforward and the final compounds could be collected pure either washing the final product that formed as precipitate or by recrystallization from ethanol. It was not possible to do column chromatography due to issues with solubility of the final compounds.

[KlementineJBS]

Hi @eloizidou , thanks for being so quick to upload this!

I think there is a double up in the compounds we synthesised in June and these compounds. A3B3 (here it has a label of MYOS_00580, but I think @dmitrij176 has now changed that to be MYOS_00610) appears to be the same as MYOS_00540 - see #15.

Let me know in case I've just made an error, but if it is the same then I will edit the masterlist and we should let Wendy and Ma know.

[eloizidou]

Many thanks Klementine, You are correct, A3B3 is the same as MYOS-00540.

Best wishes Erika

Erika Loizidou, PhD, FRSC, SFHEA Lecturer (Teaching) Drug Discovery Department of Pharmaceutical and Bio Chemistry Room B06 UCL School of Pharmacy 29-39 Brunswick Square London, WC1N 1AX, UK

From: Klementine Burrell-Sander @.> Sent: Thursday, October 5, 2023 6:46 AM To: OpenSourceMycetoma/Series-2-Aminothiazoles @.> Cc: Loizidou, Erika @.>; Mention @.> Subject: Re: [OpenSourceMycetoma/Series-2-Aminothiazoles] Aminothiazole analogues prepared at UCL School of Pharmacy (Issue #18)

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Hi @eloizidouhttps://github.com/eloizidou , thanks for being so quick to upload this!

I think there is a double up in the compounds we synthesised in June and these compounds. A3B3 (here it has a label of MYOS_00580, but I think @dmitrij176https://github.com/dmitrij176 has now changed that to be MYOS_00610) appears to be the same as MYOS_00540 - see #15https://github.com/OpenSourceMycetoma/Series-2-Aminothiazoles/issues/15.

[Image removed by sender. image]https://user-images.githubusercontent.com/78768991/272791882-3c2dd84b-48f0-43da-958d-704671ab7dea.png

Let me know in case I've just made an error, but if it is the same then I will edit the masterlist and we should let Wendy and Ma know.

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[KlementineJBS]

@wwjvdsande and @MA-Jjingyi, please note that sample MYOS_00540 (from USyd, alternate sample ID 2023_BG_13C) and sample A3B3 (from UCL, unsure what MYOS code it was sent with) are the same molecule. I've removed the MYOS code from A3B3 on the masterlist so the earlier code (540) is the correct one to use now. Feel free to test either sample.

[KlementineJBS]

I've now added all of these compounds to our Wiki page here.

I found a few more double-ups while I was doing this, mostly ones already flagged by Erika.

• A3B5 (MYOS596) was the same as MYOS429
• A3B1 (MYOS605) was the same as MYOS440
• A3B3 (MYOS610) was the same as MYOS540
• A3B4 (MYOS611) was the same as MYOS182

@wwjvdsande and @MA-Jjingyi - I have removed all the new MYOS codes so everything should now be listed only once. Please note that the compound now listed as MYOS610 is indeed a new compound, made by the Uni of York.

[mattodd]

Thanks for doing that, @KlementineJBS, important to get this right. @OpenSourceMycetoma/corecontrib - please remember to double-check novelty of molecules before adding in new Master List entries. We can add in info on different batches of the same molecule using the numbering convention (if that's what heppened here?)

https://github.com/OpenSourceMycetoma/MycetOS-Tech-Ops/wiki/The-Molecule-Numbering-Convention

[KlementineJBS]

Just adding that I've updated the wiki with the testing results for this batch of compounds, you can find it here.