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Drug designs. (MedicinalUser SAR thread)

MedicinalUser247 said:
Well I checked it out with the Swiss Target Prediction and it says it all checks out. 👍 100% on target !
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This structure reminded me of a compound called Ivabradine.

You might be interested in the precursor: [866783-12-2]

pubchem.ncbi.nlm.nih.gov

(S)-1-(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine

(S)-1-(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamine | C12H17NO2 | CID 11499437 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more.
pubchem.ncbi.nlm.nih.gov pubchem.ncbi.nlm.nih.gov

Hypothetically, you could test some of that out.
 
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Have you heard of an agent called S33005.

I started the page on wikipedia for it 12 years ago but nobody much had any interest in it.

I have it in my database here (& have the synthesis) but difficult to share it online.

I had more interest in the methyledioxy analog though, which actually was made and is not merely theoretical.

Ex23 is for the dichloro compound.
 
Just out of curiosity, are you guys medicinal chemists based in laboratories such that you would have access to equipment necessary to synthesize those molecules?

Or is it more a question of playing around with the possibilities?

PS - I have a high school level education in chemistry and the organic chem components it constitutes, which reflects about as much sense I can make of this threads contents at the moment. But am interested to learn more.
 
I have a masters degree in chemistry from 20 years ago. Although I did well and obtained a good grade I have not been able to find lab jobs and it is illegal now in the UK to make psychoactive drugs. This means that there is no real road to doing the practical work anymore.
 
Smyth2 said:
I have a masters degree in chemistry from 20 years ago. Although I did well and obtained a good grade I have not been able to find lab jobs and it is illegal now in the UK to make psychoactive drugs. This means that there is no real road to doing the practical work anymore.
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UK is a research hub for drug development though, no?

I was thinking about doing pharmacology some time ago and spoke with a drug researcher/developer called Ted Dinan (university based now) who mentioned he spent some years on drug development in the UK?

Well, from what I gather reading this thread, contributors seem to have at least somewhat of an understanding as to how to synthesize the molecules being speculated upon.

In this day and age would the lab tools necessary not be obtainable online?
 
Smyth2 said:
I have a masters degree in chemistry from 20 years ago. Although I did well and obtained a good grade I have not been able to find lab jobs and it is illegal now in the UK to make psychoactive drugs. This means that there is no real road to doing the practical work anymore.
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Well... Can you still make legal substances ? Such as designing Antidepressants ? I call this one Antidepressant X. https://ibb.co/9ZMPt8N
 
MedicinalUser247 said:
Well... Can you still make legal substances ? Such as designing Antidepressants ? I call this one Antidepressant X. https://ibb.co/9ZMPt8N
Click to expand...
The beta-naphthyl milnacipran analog was made and discovered to have TRI activity combined with NMDA antagonist.

Roggen, Heidi; Kehler, Jan; Stensbøl, Tine Bryan; Hansen, Tore (2007). "Synthesis of enantiomerically pure milnacipran analogs and inhibition of dopamine, serotonin, and norepinephrine transporters". Bioorganic & Medicinal Chemistry Letters. 17 (10): 2834–2837. doi:10.1016/j.bmcl.2007.02.054.
 
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