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I Like to Draw Pictures of Random Molecules

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Reaxys does give you fairly neat tools to input information aside from searching with words and phrases, i.e. you can query with structures and reaction schemes which is very nice and if you're looking for a very specific reaction, searching with Reaxys is usually the fastest. But the structure editing tool is far from perfect IMO, the best structure editor is in Java and thus basically useless on modern browsers, all the rest is rather uncomfortable to use especially when you want to mark specific R groups and obtain information how broadly some reaction has been researched, but it can be done even if sometimes it requires a few queries instead of one. You definitely have no way of searching through articles like this with Scholar Google, you have to input specific words to get a list of publications and then look through those publications to see if they contain the reaction or compound you're looking for (which is rather pointless if you're given such a job to do, you should be given a more appropriate tool IMO). But still, Scholar Google is what I use at home to find articles on specific topics, IME it works pretty well and you can still find a lot of more rare articles in organic chemistry this way as well. If you're looking for some general information on some reaction as a general method, then Scholar Google is definitely enough, you find an article which links to a review and then it's easy to find more information available through references and knowing names of researchers through the search engine again. You never know if it's exhaustive, with Reaxys you can't be sure either, but it's what most people in academia use (I guess). Anyway, if you carry out research and have to compile data, then that's when Reaxys is indeed indispensable when you have to check if your compounds have already been synthesized and if yes, compare analytical data from the literature with yours, good luck doing that with Scholar Google. :D No matter how clumsy the structure editor in Reaxys may feel, it's million times faster to find specific data for a given organic compound with Reaxys than with any search engine which accepts only words and phrases. I don't really use PubMed too often nowadays, so I can't say much about it.

All in all, I would definitely not invest into Reaxys either unless I ran a private company and did research that required certain functionalities Reaxys does offer.
 
Soulfake said:
A simple cocaine analogue with the tropane ring changed into a norbornane:

cc2.png

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Click to expand...

Already done, in a Frank Carroll patent (U.S. Patent 6,479,509). I dug through all this to find anything new, and spotted it some time ago. I've been digging out unique cocaine analogs for ten years; but if you find anything I haven't, let me know. P.S. nice image overlay of 'em, I took 'public domain' chemistry image rational and put it to my WP page , hope you don't mind, if you do: let me know or just take it off yourself, (otherwise perhaps you could make me another with transparency. hehe. ;-p)
 
Thanks for adding it to Wikipedia :) Everyone can use my images, no problem.

I use Marvin Sketch from the Marvin Suite chemistry programs, it´s really a great tool (it shows if you draw false structures, you can draw molecules and the program gives you the full chemical name, 3d-alignments/overlays and much more. You can download it for free at https://www.chemaxon.com/products/marvin (you have to register first but it´s fast)

Some more random analogues and one molecule that probably would be extremely toxic but it would be fun to know how it would behave in the body, which metabolites would form etc.

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I wonder why no pyrrole cannabinoids make it to the market, there have been JWH-307 and JWH-147 some years ago and both were quite effective and enjoyable (in contrast to the overly potent new cannabinoids). I imagine a AB-Pinaca or AB-Fubinaca pyrrole analogue to be very nice. You could create a whole new generation of different cannabinoids by using the pyrrole base structure.

The main problem is that mostly cannabinoids with the tert-butyl (makes all/most cannabinoids way too strong) and the ester unit (makes it last only a few minutes until it´s hydrolyzed) are being sold, if they would change it to isopropyl + amide you would have (in most cases) much safer and more enjoyable cannabinoids. They sell the overly potent ones at the same price and producers even put the same amounts (out of stupidity) into their "herbal incense" so money can´t be the argument to produce/sell the overly strong ones. I guess most producers have no clue about the more or less subtle differences and quality of effect from those two specific configurations and just think "the stronger the better" which also causes many people to get side effects like seizures or heart problems and generally unpleasantly strong effects from the tert-butyl that are very short due to the ester.

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edit: the R2-units of the last molecules are just indazole placeholders.
 
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So are N-hydroxycathinones stable, or not? Just wondering.
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Also, re: Reaxys, the only way I'd recommend it would be useful for the Average Joe is if they get complimentary access through an educational institution. Nobody's business is going to shell out $25k a year.
 
Both of those are significantly more compact that b-isobutyl-GHB (ELIXIR), and are also GHB-receptor agonists and not GABAergics (GHB is both).
 
I am not argue on that point. Just to say it “may” be active per your question.
(Either agonist,or antag)
 
I don't have chemdraw with me now, but how about ethyl 4-acetoxy butyrate ? The O-acetyl and ethyl diester of GHB.

Or even GHB lactide? (cyclic diester of lactic acid with GHB)
 
GHB prodrugs with hydrolyzable group are known, no better effect, slower onset, worse smell. The synth and effect are reported in erowid.

GHB lactic lactone seems to be having too big ring to favor formation thermodynamilcally in comparison to other possible product choice. (Lactide and GBL)
 
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Dopamine with a beta 4-bromobenzene substituent. There's beta phenyl methamphetamine which has activity, so perhaps this would do something

2J2qC8r.png


Serotonin/phenylpiracetam mashup - I don't think this would do much but I'd love to hear your guys' thoughts

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Cyclized seroracetam :p

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Apparently the R-isomer of methylphenylpiracetam has greater activity than phenylpiracetam itself so that leads me to the next molecule

iJ5wAoq.png


Bromomethylphenylpiracetam! I don't see why this wouldn't be stronger than methylphenylpiracetam. Hopefully someone has some insight on any of these molecules
 
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What's the deal with Bromine, from a biochemical standpoint? Why is it so prevalent in psychoactive chemicals?
 
AFAIK, and this is from a somewhat layman's perspective, I think the electronegativity causes it to be more easily absorbed in addition to it fitting into a given receptor better. I'm sure others could give a more in depth answer but I'm pretty sure that's why!

Something I didn't take into account though, is that that bromine might be in a problematic position. 4-bromoamphetamine is neurotoxic, so if the amphetamine substructure contributes to its activity, that bromine might cause issues. Maybe a hydroxyl group or different positioning would be better.


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some goofy amphetamine analogs I thought of

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phenylpiracetam analogs, the hydrazine version of phenylpiracetam has been shown to have activity, and I figure the cliche methylenedioxy group might do something too, with or without that methyl group
FNrAU7M.png


I'll call this one imidazoracetam lol, and I think that's enough racetam analogs for now

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I'm curious if this fat bastard would do anything, and if it would, what would it do?

MIpNQpY.png


This one is a licofelone analog influenced by zileuton -- it would probably be a LOX inhibitor, but I know even less about NSAIDs than I do phenethylamines
 
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Don't think of SAR as being so caused by the parts of the sum... bromine doesn't do anything inherently. It has steric and electronic properties but even those are very circumstantial and the relevance depends completely on the rest of the molecule and the exact structure. Also is it prevalent? Compared to what? I think that is just selective perception, if you are thinking of all psychoactives with bromine in their structure suddenly it might seem like they are more prevalent than they are vs all those that do not.

Methylenedioxies however.. :>
 
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