UoY BSc Project 2023/24 - Synthesised Compounds

[P-Rayner]

Please accept mine and @JuliaSarju's apologies for the lack of updates. This semester has been quite the challenge in York!

Here is an update from our group of students that have been making aminothiazoles this term. Some of the compounds we have made are duplicates in order to train the students. I've hopefully been able to spot the ones already in the library as shown below.

Happy to send compounds where needed and we have some time next semester to make any further compounds or new requests.

SMILES Completed Molecules COC(C=C1)=CC=C1C2=CSC(NC3=CC=CC=N3)=N2 BrC(C=C1)=CC=C1C2=CSC(NC3=CC=CC=N3)=N2 O=N+[O-] O=C(OC)C(C=C1)=CC=C1C2=CSC(NC3=CC=CC=N3)=N2 C1(NC2=CC=CC=C2)=NC(C3=CC=CC=C3)=CS1 CC1=CC=NC(NC2=NC(C3=CC=C(C#N)C=C3)=CS2)=C1 BrC1=CC=NC(NC2=NC(C3=CC=CC=C3)=CS2)=C1 CC1=CC=NC(NC2=NC(C3=CC=C(Br)C=C3)=CS2)=C1 C1(NC2=CC=CN=C2)=NC(C3=CC=CC=C3)=CS1

Purification Required C1(NC2=CC=NC=C2)=NC(C3=CC=CC=C3)=CS1 BrC(C=C1)=CC=C1C2=CSC(NC3=CC=CN=C3)=N2

Synthesis ongoing O=C(CCC1=NC=CN1)NC2=NC=CS2 O=C(CN1CCN(C)CC1)NC2=NC=CS2 O=C(CN(CC)CC)NC1=NC=CS1 O=C(CNC1=CC=CC=N1)NC2=NC=CS2 CC1=CC=NC(NC2=NC(C3=CC=C(C4=CC=CC=N4)C=C3)=CS2)=C1 C1(NC2=CC=CN=N2)=NC(C3=NC=CC=C3)=CS1 CC1=CC=NC(NC2=NC(C3=CC=C(C4=CC=CN=C4)C=C3)=CS2)=C1 CC1=CC=NC(NC2=NC(C3=CC=C(C4=CC=NC=C4)C=C3)=CS2)=C1 C1(NC2=CC=NN=C2)=NC(C3=NC=CC=C3)=CS1

ChemDraw File AminothiazolesUoY.zip

Please also accept my apologies for my lack of GitHub skills... happy to update things with tags and put things in different sheets with MYOS labels if someone can point me in the right direction!

Hope everyone has a good Christmas holiday!

[KlementineJBS]

Hi Peter,

I've given all of these molecules MYOS codes, added them to the masterlist and to the Wiki (most are in the bromoketone-alterations, but I put a few over in the thiourea-alterations).

I did pick up on a few double-ups - let me know if I've made a mistake with them. I suspect the wiki wasn't fully updated at the time that you guys were planning these syntheses. I've kept your orientation but shaded the double-ups in grey and added their existing MYOS codes. Technically I shouldn't have given the "synthesis in progress" molecules MYOS codes yet but I got carried away - if you don't end up making any of those molecules, just let me know and I'll remove them from the master list.

[P-Rayner]

Thanks @KlementineJBS - I really appreciate all your hard work in doing that. We will keep you updated when we get back in the lab after the exam period.

I am happy to send off the new completed molecules if someone could point me in the direction of where they should go.

[KlementineJBS]

Hiya - I just sent you the mailing address in an email. Curious to see how these new molecules turn out in testing!

[P-Rayner]

Here is a quick update of where we are on the aminothiazole synthesis prior to discussion on Monday at the schools meeting. Looking forward to seeing any biological data that can help us inform next steps. Our BSc students will be finishing up shortly and then the next cohort will arrive later in the year.

[KlementineJBS]

Hey @P-Rayner - can you point me towards where to find your most recent aminothiazole targets? I'm trying to figure out what compounds would be most interesting to request from the Pieroni group and don't want to overlap with things you're already working on :)

[P-Rayner]

Hi @KlementineJBS These are our current targets that we are working out methods for making.

We are pretty close with a method for all of them now so will hopefully have those within the next few weeks. We are also in the process of purifying/remaking some the previous targets already on the summary document that we spoke about at the recent monthly meeting. Our aim was to wait and see if there was any activity in any of these modifications before varying the groups in red. We haven't got as far as defining what they will be yet but there shouldn't be too much risk of overlap with the Pieroni group molecules. Thank you! Peter