Compounds from a New Contributor

[mattodd]

Hi all - @bebi78 has joined the project and is offering to ship two molecules to you, @wwjvdsande, for in vitro evaluation if that is OK? The fenarimol-atovaquone hybrids are as follows:

O=C1C(O)=C(C(C2=CC=CN=C2)N3CCN(C(OCC)=O)CC3)C(C4=CC=CC=C41)=O O=C1C(O)=C(C(C2=CC=CN=C2)N3CCN(C(OC(C)(C)C)=O)CC3)C(C4=CC=CC=C41)=O

If this is fine, @dmitrij176 can you please add these two molecules to the Master List and generate MyOS codes? (@bebi78 this is an important part of molecule tracking, obviously).

Wendy please indicate amount needed (either DMSO solution amount/conc, or dry mass accurately weighed) and whether there is a preferred shipping address?

[mattodd]

OK, this is great - are we up to date with these compounds being entered into the MycetOS Master List? Important we have the codes and the SMILES etc all added in, if not.

[bebi78]

@wwjvdsande Er komt een pakket aan. UPS tracking number is: 1Z99F7F10490074759 @mattodd @dmitrij176 @MA-Jjingyi The dock file above (Cinnamyl.Alklaoids.docx) contains names, mol weights, amounts and SMILES codes of the dispatched compounds. I haven't provided a file with the structures because they can be easily found via google and/or in organic or natural product chemistry textbooks.

[MA-Jjingyi]

@bebi78 thanks. we will let you know when we receive it. and we plan to test them in near future.

[MA-Jjingyi]

@bebi78 @dmitrij176 Hi, all compounds Mw and weight from these two files (mycetoma.list..docx MycetOS.022022.docx) are very clear to be found. thanks for your help. and I just have a small question. the Mw number of the compound called "Gramicidine D" is different between the file (mycetoma.list: 2000g/mol)and the spreedlist in Github (MYOS-00263 :1882.33g/mol). please tell me which one is correct.

[bebi78]

@MA-Jjingyi @dmitrij176 According to the label of my gramicidin D sample, it is a mixture of gramicidines and so the MW is ca. 2000 g/mol.

[MA-Jjingyi]

@MA-Jjingyi @dmitrij176 According to the label of my gramicidin D sample, it is a mixture of gramicidines and so the MW is ca. 2000 g/mol.

thanks. I will choose 2000 g/mol to do solution.

[bebi78]

@wwjvdsande @mattodd @MFernflower @MA-Jjingyi I can provide a sample of bifonazole (3-5 mg) if it has not been tested, yet, in your lab. I have read that clotrimazole is inactive against mycetoma fungi but bifonazole is reported as an improved imidazole with superior antifungal properties based on its dual mode of action attacking two enzymes of the ergosterol biosynthesis pathway.

[bebi78]

@wwjvdsande @MA-Jjingyi I have a request. I started writing a research manuscript about the cinnamide/Zimt series of compounds (see below) because I have received interesting results from my Saudi partners in terms of antiparasitic activities (L. major, T. gondii) now. We would like to incorporate your antifungal results about these compounds into this planned manuscript if you agree. That's why I also want to ask you if you can start testing these compounds the next time so that we can finish the manuscript in the coming months, in case you haven't started testing them meanwhile?

Anis-Zimt-Pip: 11 mg O=C(N1CCCCC1=O)/C=C/C2=CC=C(OC)C=C2

Anis-Zimt-Pyr: 10 mg O=C(N1CCCC1=O)/C=C/C2=CC=C(OC)C=C2

TMP-Zimt-Pip: 8 mg O=C(N1CCCCC1=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2

TMP-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2

Cl-Zimt-Pip: 9 mg O=C(N1CCCCC1=O)/C=C/C2=CC(Cl)=C(OC)C(OC)=C2

Cl-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(Cl)=C(OC)C(OC)=C2

Br-Zimt-Pip: 16 mg O=C(N1CCCCC1=O)/C=C/C2=CC(Br)=C(OC)C(OC)=C2

Br-Zimt-Pyr: 2.2 mg O=C(N1CCCC1=O)/C=C/C2=CC(Br)=C(OC)C(OC)=C2

I-Zimt-Pip: 12 mg O=C(N1CCCCC1=O)/C=C/C2=CC(I)=C(OC)C(OC)=C2

I-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(I)=C(OC)C(OC)=C2

[MA-Jjingyi]

@wwjvdsande @MA-Jjingyi I have a request. I started writing a research manuscript about the cinnamide/Zimt series of compounds (see below) because I have received interesting results from my Saudi partners in terms of antiparasitic activities (L. major, T. gondii) now. We would like to incorporate your antifungal results about these compounds into this planned manuscript if you agree. That's why I also want to ask you if you can start testing these compounds the next time so that we can finish the manuscript in the coming months, in case you haven't started testing them meanwhile?

Anis-Zimt-Pip: 11 mg O=C(N1CCCCC1=O)/C=C/C2=CC=C(OC)C=C2

Anis-Zimt-Pyr: 10 mg O=C(N1CCCC1=O)/C=C/C2=CC=C(OC)C=C2

TMP-Zimt-Pip: 8 mg O=C(N1CCCCC1=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2

TMP-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(OC)=C(OC)C(OC)=C2

Cl-Zimt-Pip: 9 mg O=C(N1CCCCC1=O)/C=C/C2=CC(Cl)=C(OC)C(OC)=C2

Cl-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(Cl)=C(OC)C(OC)=C2

Br-Zimt-Pip: 16 mg O=C(N1CCCCC1=O)/C=C/C2=CC(Br)=C(OC)C(OC)=C2

Br-Zimt-Pyr: 2.2 mg O=C(N1CCCC1=O)/C=C/C2=CC(Br)=C(OC)C(OC)=C2

I-Zimt-Pip: 12 mg O=C(N1CCCCC1=O)/C=C/C2=CC(I)=C(OC)C(OC)=C2

I-Zimt-Pyr: 5 mg O=C(N1CCCC1=O)/C=C/C2=CC(I)=C(OC)C(OC)=C2

Hi, @bebi78 , We have screened these compounds. and I check all data just now. the result shows that these compounds didn't inhibit fungi growth at 100uM and 25uM. the MYOS number of these compounds is from MYOS_00207_00_01 to MYOS_00216_00_01. you can find these data easily in the spreedsheet of Github. if you have any question about these data, please let me know.

[bebi78]

The cinnamide manuscript was published online now (see link, open access).

https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/cmdc.202300132