Drug designs. (MedicinalUser SAR thread)

[Skorpio]

So, your saying Methylene dioxy and Dioxolane are the same thing ?

It's a nomenclature issue. Dioxolane tends to refer to the ring in isolation, where methylene dioxy is what people use to refer to the functional group in the context of a larger molecule.

It is synonymous to calling a methoxy a methyl ether, or a phenyl group a benzene group. They both have the same meaning but imply a different context.

 

[Skorpio]

Well, It binds to the GABA receptor. And I got the idea from looking at simple Alcohols. I did have another idea for another G.H.B analog, but I decided the go with a simpler molecule. My other idea for a G.H.B. analog was gamma-Hydroxybutyroprimidine. I got that idea from looking at Barbiturates. But I decided not to go with that because I was afraid of it being too potent.

One thing to think about when thinking about novel drug design is what parts of a drug are charged and uncharged (as well as H-bond donors like alcohol groups).

In general taking two drugs with different shapes and orientations of charge and fusing them will make something that is completely different than either of the two initial elements.

γ-Hydroxybutyraldehyde - Wikipedia

en.m.wikipedia.org

 

[MedicinalUser247]

One thing to think about when thinking about novel drug design is what parts of a drug are charged and uncharged (as well as H-bond donors like alcohol groups).

In general taking two drugs with different shapes and orientations of charge and fusing them will make something that is completely different than either of the two initial elements.

γ-Hydroxybutyraldehyde - Wikipedia

en.m.wikipedia.org

Well... I quess I got to scrap that idea. I didn't read up on that when I was designing it. Now... What about my other idea ? gamma-Hydroxybutyropryrimidine ?

 

[MedicinalUser247]

Well I've been looking at all sorts of related structures. I'm trying to come up with something or par with M.D.M.A. or stronger than M.D.M.A. This morning I had a few thoughts on what can be stronger and last longer. One was 1,2,5-Oxodiazole-4-Methylaminorex and Succinimide-4-Methylaminorex. I wanted to find something new to replace Methylene dioxy and I wanted the substance to last longer that's why I replaced the Methamphetamine part with 4-Methylaminorex. The 1,2,5-Oxodiazole is also known as a Furazan. I'm wondering if it works better than a Methylene dioxy.

 

[MedicinalUser247]

I call this one Benzobarb. It's 7-Chloro-1,3-dihydro-1-methyl-5-phenyl-3H-1,3-diazinane-2,4,6-trione-1,4-benzodiazepine-2-one.

 

[MedicinalUser247]

Well, what I drew was a Benzodiazepine structure attached to a Barbituric acid molecule. I wish I had ChemDraw and the ChemDraw online lets you draw, but you can't download or upload any of the images on to your computer.

 

[MedicinalUser247]

So, What would you think about gamma-Hydroxybutyrobarbituric acid ? Sort of like a hybrid of G.H.B. and a Barbiturate. You can attach the G.H.B. molecule to a barbituric acid molecule. I was thinking that it would be interesting to attach the G.H.B molecule to Pyrimidine, but barbituric acid is much more straight forward. And I don't think Pyrimidine would be as psychoactive as barbituric acid. Tell me what you think about this compound ? And if anyone has any ideas about new G.H.B analogs please feel free to post.

 

[someguyontheinternet]

The most likely thing that can happen when blending two known drugs like you're trying to do is what Skorpio mentioned earlier, it loses affinity for both targets and does something completely different or nothing at all. You're better off modifying functional groups

 

[someguyontheinternet]

@MedicinalUser247 I just found this website and on first glance it looks pretty solid. It might help you understand drug design a little better. There's a ton of info there and I'd you want to learn more I'm sure there are more detailed books available

Drug Design - Drug Design Org

Drug Design

www.drugdesign.org

 

[MedicinalUser247]

I call this one Hydroxymeth. (S)-2-Amino-3-(3,4-dihydroxyphenyl)-N-methyl-1-phenylpropan-2-amine.

 

[MedicinalUser247]

I call this one hydroaminorex (RS)-(3,4-dihydroxyphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.

 

[MedicinalUser247]

I call this one Hydroxymeth. (S)-2-Amino-3-(3,4-dihydroxyphenyl)-N-methyl-1-phenylpropan-2-amine.

Just imagine Meth crossed with L-DOPA.

 

[MedicinalUser247]

I'll definitely check it out. Thanks.

 

[unodelacosa]

I wish I had ChemDraw and the ChemDraw online lets you draw, but you can't download or upload any of the images on to your computer.

So what you do is take a screenshot, crop it to just the molecule, upload it to imgur, and use that link to insert the image in your post.

Just imagine Meth crossed with L-DOPA.

that's hilarious

Get it together, @MedicinalUser247

EDIT: also outside of ChemDraw there are other options like ChemDoodle and Chem-Space.

 

[Skorpio]

The commentaries in PIHKAL and TIHKAL are pretty good for learning structure activity relationship of phenethylamines and tryptamines respectively.

 

[Skorpio]

Aminorexes don't share SAR with phenethylamines. Methylenedioxy aminorex isn't more of a serotonin releaser than methyl aminorex for example.

Both of those rings you mentioned are going to really change the charge distribution of the molecule.

 

[MedicinalUser247]

Well, what about M.D.M.A. compared to 1,2,5-Oxodiazole-Methamphetamine ?

 

[MedicinalUser247]

^^ Yes, but those two books basically focuse on Phenethylamines and Tryptamines. It doesn't mention G.H.B. So, I'm better off reading a book about Drug Designs in general. Anyway, back to the topic about G.H.B analogs.

 

[MedicinalUser247]

I call this one OpenX it's related to DOM the molecular structure is 3,4-Dimethoxy-Methamphetamine.

 

[MedicinalUser247]

I call this one Tetra It's Molecular structure is 2,3,4,5-Tetramethoxy-Amphetamine.