I Like to Draw Pictures of Random Molecules

[DotChem]

Nice but are alfa-aminosulfones stable? ..would they not behave like alfa-acetoxy amines! hydrolyze very easily in solution into sulfinic acid and amide?

 

[Nagelfar]

Charged species won't cross BBB.

What's the specific rationale; just because I'd like to educate myself on the simple 'ring-pass-naught' rules of the BBB. Not just *that* it is charged, is it? Is Deprotonation prior to BBB always the case in salt drugs?

How 'bout:

which is (the aforementioned) combination of these two:

^Top = anesthetic(/stimulant?) + ^bottom = analgesic/mu-agonist-opioid

 

[Pomzazed]

What's the specific rationale; just because I'd like to educate myself on the simple 'ring-pass-naught' rules of the BBB. Not just *that* it is charged, is it? Is Deprotonation prior to BBB always the case in salt drugs?

How 'bout:

which is (the aforementioned) combination of these two:

imposiburu molecule; stop snapping a CH2 in-between electronegative heteroatoms like N, O, P, S in aliphatic compounds, especially in non-ring molecule!
It breaks down to corresponding carbonyl; eg. That N-CH2-N will break down to two amines and formaldehyde,
This is aloso true for that N-CH2-OR shown in your pic will go to ethylamine, methyl alcohol, and ketone

The breaking will be more prominent in charged N molecules.

Aromatic ring greatly stabilize this so it is "ok" (ala MDMA), aliphatic ring wont be much so, so not-ok (eg MD-propylhexedrine; isolatable, but decompose near sudden) non-ring is even worse, snip it when you see. (it also breaks either when you 'look at' it or not)

I dont directly target against your molecule, but I see it too often now in this thread. Just need to make ppl realise before designing

 

[roi]

Now that 4-Fluorophenibut and 3,4,5-Trimethoxyphenibut are available, we need some proper analogues. You know what to do bluelight.

and of course

 

[Dresden]

You got me thinking about pregabalin, and this came out.

 

[Dresden]

That last one, roi, is a methylating agent and is supertoxic.

 

[Dresden]

And this.

 

[Dresden]

Those oxygens should liven things up compared to the first two.

 

[Dresden]

At least I think it is a methylating agent.

 

[Dresden]

Finally, somebody backs up my claim that N-CH2-O's are impossible!

 

[pharmakos]

Those oxygens should liven things up compared to the first two.

i'm surprised that 4-cyclopropyl phenethylamines haven't been tried. i can't dig up anything about them, at least. anyone have any guesses as to why these haven't been done? or is it just that no one's gotten around to them yet?

that cyclopropyl group would be perpendicular to the plane of the benzene ring, right? might kill potency.

 

[Dresden]

Idk but I bet this would be cool.

I love propanes!

As for the cyclopropanes, Ann Shulgin took this one and felt "like a goddess."

?

 

[Pomzazed]

Finally, somebody backs up my claim that N-CH2-O's are impossible!

Yeah, most are imposiburu except in very special case,
I have been seeing that "breaks into formaldehyde and amine" periodically, but i just ignore it.
Now i see it more and more, really, ppl need to look at "aminal"(not animal!) hemiaminal, hemiaminal ether
And see their formatiion and breakdown mechanism and conditions required for that.

TLDR:
Dont design aliphatic noncyclic X-CR₂-X drugs, where X is N,O,S,P , and R is alkyl!

 

[Dresden]

This one is a longshot for sure, but heck, here it is anyway...

 

[Dresden]

Here's a nightmare drug.

 

[Dresden]

And another.

 

[clubcard]

I hope you're using Marvin-sketch to check cLogP (calculated LogP - who has actually taken a vessel filled 50/50 with N-octanol & water to see what % ended up where?) and pKa at blood pH. Follow Lipinski's rules of 5 and give values - in the name of learning. I think anyone without a formal education (learning how to perform an AMES test, testing blood % urine and the 1001 thing before STAGE I). I had a VERY simple STAGE I and I'm still posting. Until the 60s, this was standard test - I mean, Bentley and other bit-hitters did it.

 

[Nagelfar]

imposiburu molecule; stop snapping a CH2 in-between electronegative heteroatoms like N, O, P, S in aliphatic compounds, especially in non-ring molecule!
It breaks down to corresponding carbonyl; eg. That N-CH2-N will break down to two amines and formaldehyde,
This is aloso true for that N-CH2-OR shown in your pic will go to ethylamine, methyl alcohol, and ketone

The breaking will be more prominent in charged N molecules.

Aromatic ring greatly stabilize this so it is "ok" (ala MDMA), aliphatic ring wont be much so, so not-ok (eg MD-propylhexedrine; isolatable, but decompose near sudden) non-ring is even worse, snip it when you see. (it also breaks either when you 'look at' it or not)

I dont directly target against your molecule, but I see it too often now in this thread. Just need to make ppl realise before designing

??

Yeah, most are imposiburu except in very special case,
I have been seeing that "breaks into formaldehyde and amine" periodically, but i just ignore it.
Now i see it more and more, really, ppl need to look at "aminal"(not animal!) hemiaminal, hemiaminal ether
And see their formatiion and breakdown mechanism and conditions required for that.

TLDR:
Dont design aliphatic noncyclic X-CR₂-X drugs, where X is N,O,S,P , and R is alkyl!

You callin' my compound aliphatic, man? "I Auummm Nottt An Aminal!!!"

 

[Dresden]

 

[Dresden]

Form the necessary, not for