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⫸STICKY⫷ I Like to Draw Pictures of Random Molecules

Nagelfar

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Long time no see nagelfar :) how you doin?
↑I've been around, just not in this thread.

The more I learn about chemistry the less I see my doodles have any significance, unless there's something very specific going on where I'm informed of the angstrom length of a binding pocket and another drug of some length elsewhere or similar.



↑on that note, (4′-)para-cis-propenyl-phenyl-N-methylamphetamine is something I'd really like to see. Doubtful it would have the same selectivity as the phenyltropane but would be interesting nonetheless. Just a basic MDMA clone? - or something more? How would affinity as a DAT releaser be affected?
 

Gaffy

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↑I've been around, just not in this thread.

The more I learn about chemistry the less I see my doodles have any significance, unless there's something very specific going on where I'm informed of the angstrom length of a binding pocket and another drug of some length elsewhere or similar.



↑on that note, (4′-)para-cis-propenyl-phenyl-N-methylamphetamine is something I'd really like to see. Doubtful it would have the same selectivity as the phenyltropane but would be interesting nonetheless. Just a basic MDMA clone? - or something more? How would affinity as a DAT releaser be affected?
Cool to have you around. What do you think of my ephozine derivatives?
 
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sekio

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that's only 1 of 8 possible conformations, it's my attempt at making it overlay natural (-)cocaine, though structurally speaking I think phendimetrazine may be a closer match
 

Nagelfar

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Interesting, wonder if it'd be improved with a para-arene substitution. From what I understand cocaine analogs are often inproved but not phenmetrazine.
 

Gaffy

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Drawn with the composition you published it as,
@sekio , it becomes this on STP , which is a switch in isomers right? STP doesn't seem to accept it the way you drew it.. anyway, the stats are a better resulting matches than with the original, with sigma and some others added to the dopamine and serotonine matches. I'm going to call it matching now, nothing else, so there won't be any persuasive convertion of results.
 

Nagelfar

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A cross between a constituent from the 'Euphorbia resinifera' "cactus" which is related to capsaicin & LSD. Kind of a hot tamale peyote Frankenstein.



↑Anyone else with a better (or even *some*, unlike myself) knowledge of the ligand binding structure care to take a crack a THC/Phenmetrazine intermediate?

Perhaps just putting a nitrogen on a THC analogue such as "O-1918"?


Crude rendition of what LSD & morphine might look like together. The isomerism of the 14 position isn't correct for LSD, but then again the whole nitrogen bridge probably interferes.

↑Inspired by direct dopamine agonists & serotonin.


↑would this even qualify as a Xanthine?

↑I still love how convoluted this one looks and yet is probably the most likely to be active and improved, keeping the 3β-styrene alkylphenyl and the 2’(–ortho)-acetyloxy (2.10 ± 0.04 & 70 ± 1 for DAT respectively) and the C1 phenyl (32.3 ± 5.7), I also inverted 2β-carbmethoxy to an acetyloxy which should help penetration. This one, as an admirer of cocaine analogs, is pure beauty.
 
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Smyth2

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As Part of a collaboration between Abbott & GSK: Paroxetine + Tebanicline = Paroxnicline.

Wormin & Dettol are other alcohols instead of the Sesamol. Get Wormaxil & Dettoxil, respectively.
Please indicate if you would like my idea.
 
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Nagelfar

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[36882-04-9]

It would be close to MPTP intermediate depending on the route taken.
Really? I am certainly not well versed in metabolic pathways, or even what is stable. I suppose by "close" you mean without the bond in the cyclohexane, and still convert into an arene?

(It would be quite useful to laymen if there was an online ChemDraw / MolView etc. program, using basic rules and formula, that showed you what a compound would transition into given normal circumstances, room temperature, or human metabolic lability)

I figured it wasn't too different from what factors contribute to the action of Desmethylprodine. Alas, the folly of assumption to those not schooled in the particulars of a science is legendary.
 

Smyth2

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I don't have any literature in front of me, but in terms of what you need:

1-Methyl-4-phenylpiperidin-4-ol [4972-68-3]

You need FGI of the alcohol to a leaving group, then displace with piperidine would work.

A triflate would be the most facile lg.

The actual commerically tried & trusted drug itself is obviously Parkinsan (Budipine).
 
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Smyth2

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On a second note, the Ritter reaction on 1-Methyl-4-phenylpiperidin-4-ol [4972-68-3], hydrolysis of the amide, and base alkylation with pentyl-1,5-dihalide might also be viable.

This second method is actually congruent with the protocol that had been used for Osanetant.
 

Gaffy

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Some BS and some good:




What you see here is the métabolite (theoretical) of PYROFAN
 
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