Building Blocks

2-(4-Benzoylphenoxy)acetic acid is a phenoxy compound that can be used as an antinociceptive agent. It has been shown to inhibit the pain response in mice by binding to the peripheral cannabinoid receptor CB2 and blocking intracellular calcium channels, thereby inhibiting the release of pro-inflammatory molecules. 2-(4-Benzoylphenoxy)acetic acid also inhibits the activity of two enzymes involved in carbonic acid production and glucose metabolism, which may provide protection against metabolic disorders. Computational methods have been used to model the molecular structure of 2-(4-benzoylphenoxy)acetic acid, which are then compared with experimental data on hydrogen bonding interactions between dihedral angles and intramolecular hydrogen bonds.

N-Benzylpyridine-4-carboxamide is a synthetic compound that has been shown to have anticancer, anti-inflammatory, and neuropathic properties. This compound is an innovative drug candidate for the treatment of inflammatory diseases and cancer. N-Benzylpyridine-4-carboxamide inhibits the production of chemokines, which are cytokines that are involved in the recruitment of cells to sites of inflammation and infection. The mechanism involves the ring opening of the amide bond between the nitro group and the carboxylic acid group. The pharmacophore is derived from this ring opening reaction. This compound also blocks receptor subtypes such as 5HT3A or NMDA receptors, which may lead to neuropathic effects.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Iodo-2-(propan-2-yloxy)benzene is a protonated aromatic compound that has been synthesized by the palladium-catalyzed reaction of 1,3-dibromopropane and potassium iodide. The elemental analysis of this compound shows the presence of carbon, hydrogen, oxygen and iodine. FTIR experiments have shown that the protonated benzenes are present in this compound. This molecule was isolated with an isolated yield of 40%. The 1H NMR experiment showed that the protons on the aromatic ring were in the meta position.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-(3-Methylbenzyl)succinic acid is a sulfate metabolite that has been shown to regulate the activity of sulfate-reducing bacteria. It was first identified as a major metabolite in incubations with benzylsuccinic acid and xylene. The isomers of 2-(3-methylbenzyl)succinic acid are benzoate and hydroxyphthalide. The geochemical significance of this compound is not yet known, but it may signify the presence of microbial metabolism in the environment. The compound can be found at nanomolar concentrations in natural environments and has been shown to inhibit microbial growth by mechanisms that remain unclear.

2-Bromo-1,3,5-triisopropylbenzene is an ethylene acetal that is prepared by the catalyzed reaction of aryl chlorides and anhydrous zinc bromide in the presence of triethylamine. The selectivities of this method are high because it can produce mainly a single isomer. The stereoselectivity is also high because the reaction proceeds with the formation of only one stereoisomer. The mechanism for this reaction involves a nucleophilic substitution of the halogenated aryl chloride with the trialkylborane, which generates two different products. This product has been used in the synthesis of biphenyls and nitro compounds.

6-Chloro-2-oxo-1,2-dihydropyridine-4-carboxylic acid (6CODPC) is a carboxylic acid that is an active ingredient in some fungicides. It has been shown to inhibit the growth of certain plant pathogens such as viruses and bacteria. 6CODPC binds to the enzyme ribonucleotide reductase, which is involved in DNA synthesis and replication, leading to the inhibition of RNA synthesis and protein synthesis. This leads to cell death by apoptosis. 6CODPC also inhibits the production of proteins in plants that are necessary for photosynthesis.

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine is a purine ligand that can be protonated at the N7 nitrogen. It has been shown to have biological properties such as anion binding and also shows strong dichroism spectra. The structure of 3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine has been determined by X-ray crystallography and magnetic resonance spectroscopy. This ligand is not easily protonated in aqueous solution due to its high basicity. The protonation state of this ligand is sensitive to pH changes in the environment.

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Chloropyridine-2,6-diamine is a compound that contains nitrogen and carbon. It has been synthesized experimentally and the crystal structure has been determined by X-ray crystallography. This substance belongs to the class of heterocycles and it is a hydrogen bond acceptor. The crystal structure of 4-chloropyridine-2,6-diamine has been rationalized using experimental data. The electron density maps show that there are six moles of naphthalene for every mole of 4-chloropyridine-2,6-diamine in the crystal lattice.
4-Chloropyridine-2,6-diamine is an enthalpy donor because it donates its electrons to other substances. It also accepts hydrogen bonds from other substances. This substance can form supramolecular frameworks with pyridine and benzene molecules, which stabilizes the molecule's structure through coval

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Sulfamoylbenzamide is a sulfonamide that has been modified to improve its selectivity and potency. The modification of 4-sulfamoylbenzamide has been studied with anhydrase, which is an enzyme found in the eye that can cause glaucoma. The modifications allow this drug to selectively target the cytosolic isoforms of anhydrase. This drug also has anti-proliferative activity and can be used for the treatment of certain types of cancer, including breast, lung, prostate, and colon cancer. 4-Sulfamoylbenzamide was first synthesized in 1964 and was approved by the FDA in 1968 for use as an ophthalmic agent.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold