I Like to Draw Pictures of Random Molecules

[S.J.B.]

@Gaffy : would you please post real structures not SMILES structures it is pointless as nobody is going to bother converting them. You can use this website if you do not want to host images.

 

[Gaffy]

@Gaffy : would you please post real structures not SMILES structures it is pointless as nobody is going to bother converting them. You can use this website if you do not want to host images.

That's why I use the STP link to host the image, and as soon as I'll have access to a computrr again I will definitly edit all my posts with images

 

[sekio]

I will add images... just maybe in future you can start posting images, IUPAC names or even derivatives of "common names", like "4a-allyl-morphine" instead of "OC1=C2O[C@]3(CC=C)[C@]45C2=C(C=C1)C[C@@H](N(CC5)C)[C@]4([H])C=C[C@@H]3O".

 

[Gaffy]

Hahah.. Sorry.. And thanks a lot!

BIG NEWS! I have found a supplier who is ready to look into producing BLÆZØCAINE! It seems dimethocaine isn't very popular anymore so they are looking for a legal replacement, and this fits perfectly! Yay!

Edit: Sekio, you're the best!

Could someone tell me the IUPAC of the blæzøcaine, COC(=O)C(COC(=O)C1=CC=CC=C1)C1CCCN1C

Would this be right? :
1-(2-(N-MethylPyridine))-2-Carbomethoxy-3-Benzoyloxylate

 

[Nagelfar]

^I'd like to see that one

 

[sekio]

I personally don't see this being active at all (ester hydrolysis will be rapid) and it looks nothing like any active NDRIs

 

[Gaffy]

It's one carbon link away from cocaine.. Check it out on STP!

 

[sekio]

I could care less what STP says, I'm just pointing out that methyl esters tend to get cleaved very rapidly (cocaine's does...)

also in general deleting single bonds out of compounds reduces the affinity towards transporters, c.f. 2,3-seco-fentanyl or diampromide vs fentanyl... orders of magnitude difference in potency

also your "8-methyl dmt" is really 2-methyl dmt..

Erowid Online Books : "TIHKAL" - #34 2-ME-DMT

Entry #34 2-ME-DMT from TiHKAL by Alexander & Ann Shulgin.

www.erowid.org

 

[Gaffy]

I would still like to try it in the least. And yes, I was more interested in its affinity for the HT6 and the compounds derived thereof; also I used the counting of carbons you pointed out a few posts ago, which goes like a phenyl compound

Oh, and finally it seems synthing Blæzøcaïne small scale is around ten to one which is just too much for an RC that is aimed to replace Dimethocaine which goes for three/four to one. This is not a price naming..


A funny compound, active at GABA receptors that are completely unknown to me. I wonder if it has any addictive properties and if it's euphoric. Any input on these receptor? I've got time for reading

SwissTargetPrediction

swisstargetprediction.ch

(Found a way to host this image as it was already uploaded)

Found a way to screenshot/upload on imgur but the linking add-on from BL disappears upon entering the link, I don't know why it worked with the one above..

Anyway, here's the STP link.

SwissTargetPrediction

swisstargetprediction.ch

I've got an interesting new fentanyl I'll post tomorrow.

Edit: Searching for theanine derivatives active at orexine ligands (found one, might post if someone is interested in it) I came across some dopamine activity and after 2-3 changes came up with this, which is I think what I was looking for searching for HT6 activity without visuals! I present:

SwissTargetPrediction

swisstargetprediction.ch

Sekio, you were talking about unknown format NDRIS, here's a SNDRI to for your liking :



CCC(C(CC)C1=CC=CC=C1)C1CCCN1C

SwissTargetPrediction

swisstargetprediction.ch

New MDMA alternative??

 

[sekio]

Isn't that a prolintane analogue? (remember please post images and not just SMILES)

What's the fascination with 5HT₆ agonism? What's that supposed to do?

Oh, and finally it seems synthing Blazocaine small scale is around ten to one which is just too much for an RC

probably because it's not as trivial a synthesis as you think

if you remove the ester linkage and a methylene, and swap the methylpyrrolidine for a piperidine, you get methylphenidate.

 

[Gaffy]

Isn't that a prolintane analogue? (remember please post images and not just SMILES)

What's the fascination with 5HT₆ agonism? What's that supposed to do?


probably because it's not as trivial a synthesis as you think

if you remove the ester linkage and a methylene, and swap the methylpyrrolidine for a piperidine, you get methylphenidate.

With my small knowledge, I'd guess=>
Start with Beta-MethoxyAlaninol, Chloride => Chlorinated right next to the ketone. First step. Then N-Methylpyrridine, Chlorinate the 2 position - 2 step. React the two, you got yourself precursor n°3. Then dilute benzoic acid, the precursor n°3 and heat for 2-3 days, removing water. Extract with ether, gas with HCl and there you've got Blæzøcaïne!

Check these out, decided to make a Dump, too many to post one by one. Tonight's thinking results:

Edit: it seems just posting ttheimgur link and not trying to add it via the image link add-on works

HT6 seems to play a role in alzheimer, I was tired of inventing drugs so i wanted to come up with some kind of a medecine ^^

And yes it is prolintane inspired .

 

[sekio]

Start with Beta-MethoxyAlaninol, Chloride => Chlorinated right next to the ketone. First step. Then N-Methylpyrridine, Chlorinate the 2 position - 2 step. React the two, you got yourself precursor n°3. Then dilute benzoic acid, the precursor n°3 and heat for 2-3 days, removing water.

This is like, textbook example of how organic synthesis doesn't go. Do you just magically get the intermediates to just link together? (with expulsion of chlorine gas, natch)
Are you aware of any other side reactions in your proposed synthesis? What reagents do you propose to chlorinate a non-activated ester (presumably you mean methyl 3-methoxypropanoate as "beta-methoxy-alaninol" (don't you mean serinol ?) has no ketone - only an amine, and 2 primary alcohol last I checked) and/or the 2' position of a pyrrolidine selectively?

Dilute benzoic acid? Why?

Anyway I could go on... it's not as simple as you would make it out to be. Do some reading on process chemistry and maybe come back to the drawing board next year

Or pull out the stops and make a compound actually tenable to large-ish scale synthesis:

You can have that one, for free...

I was tired of inventing drugs so i wanted to come up with some kind of a medecine ^^

You're not bringing genius innovation to pharmacy with your brilliant observations here. There is binge-generating a bunch of structures and feeding them into STP during a bender, & then there is rational pharmacy design, and the venn diagram doesn't see a lot of overlap...

5-ht6 and alzheimers

(sarcasm aside) What in the brain hasn't been found or speculated to have some role in Alzheimers disease?

You will notice nobody else in this thread takes themselves too seriously ...

 

[sekio]

Isophenidine analog?

 

[Gaffy]

No words on my beautiful inventions?

I'll just post some from time to time.

And yes I'm quite bad at chemistry ^^

I meant beta alanine where the amime is an alcohol and where the carbohydroxy is methylated

 

[Gaffy]

The prolintane analog posted above has the wtong image, that of its 4F analog. This is the tight one:

 

[Nagelfar]

Replace/substitute the phenols on phenolphthalein with different cyclohexanes ring systems having any kind of branches or heteroatoms and try to make a drug with abuse liability.

That's what I would do if I could here quarantined with just my phone, maybe I could entice someone else to do so, I just want to see something like it.

 

[Gaffy]

SIGMA, MU, KAPPA, DELTA, DOPA, NE, SER, NMDA, etc, all on one molecule, I present:

SwissTargetPrediction

swisstargetprediction.ch

As for the IUPAC, Phenyl-1-CycloHexyl-1-MethylCyclopentyl-(2-Pyrridinemine)

 

[sekio]

^ somehow I doubt that binds mu, with no oxygens & 1 nitrogen
frankly i dont think it will bind dat either, that's a big ball of lipophilic goo

same for a lot of some of your other "inventions" which seem to be "take a large lipophilic group and jam a 2-methylaminopropane onto it"

in fact I would say you are doing a good job of illustrating the limitations of STP, many of those compounds are thoroughly too bulky to be DAT substrates. You will notice there is no pyrene analog of amphetamine nor buckyball analogs.

1,6-di(phosphocholine)-alpha-glucopyranose
i dont know, a nootropic maybe

 

[Gaffy]

Is that taurine in there?



WORMTAIL

 

[polymath]

Is that taurine in there?

Taurine is a bit like the amino acid glycine, except that it's a sulfonic acid and not carboxylic. The one in Sekio's post is a phosphate ester and a quaternary ammonium compound (not a normal amine).