Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Amino-5-chloro-3-nitrobenzoic acid is a synthetic compound that has been shown to have topoisomerase activity. It binds to the DNA of cancer cells and inhibits the expression of certain genes, which inhibits cell proliferation. 2-Amino-5-chloro-3-nitrobenzoic acid also interacts with the drug transport protein p-glycoprotein, inhibiting its function and leading to multidrug resistance in cancer cells. This drug has been shown to be cytotoxic for lung carcinoma cells.

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Chloro-3,4-methylenedioxybenzene is an organic solvent used in the treatment of various inorganic compounds. The solvent is used to dissolve inorganic compounds that are insoluble in water and other solvents. 1-Chloro-3,4-methylenedioxybenzene can be used as a dehydrating agent or additive to remove water from organic substances such as coal tar or oils. It is also used as a catalyst for alkylation reactions and has been shown to inhibit the growth of bacteria by binding to DNA. This product has been demonstrated to have anti-inflammatory properties.

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.

1-Benzyl-4-chlorophthalazine (1BCP) is a heterocyclic compound that inhibits the piperazine pathway. It has been shown to be a lead compound for inhibiting the growth of medulloblastoma cells in vivo and allografts in vitro. 1BCP inhibits the proliferation of mouse cells by blocking the production of pyrimidine nucleotides and DNA synthesis. This inhibition is due to its ability to inhibit the enzymes involved in pyrimidine biosynthesis, including dihydropteroate synthase, dihydrooratase, and ribonucleotide reductase. The observed effects are mediated through inhibiting key enzymes in the pyrimidine biosynthetic pathway, which leads to cell cycle arrest and apoptosis.

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

N-(2,2-Dimethylpropyl)aniline is a heterocyclic compound that belongs to the class of amines. It is used in the synthesis of polymers and copolymers, such as polycarbonate plastics, polyurethane elastomers, and polyester fibers. N-(2,2-Dimethylpropyl)aniline can be used as a catalyst for cross-coupling reactions and also has been shown to catalyze x-ray crystallography studies. This product has also been shown to have carbamate and amide properties.
N-(2,2-Dimethylpropyl)aniline is an intermediate in the production of anilines from benzene derivatives with dimethylformamide or carbonyldiimidazole. It has also been shown to react with alcohols or phosphites to form esters or phosphoramides, respectively.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Aminoperimidine hydrobromide sesquihydrate (2AP) is a sulfonamide antibiotic that inhibits bacterial growth by binding to the ribosome. 2AP is a potentiometric titrant, with an endpoint of 1.5 M NaOH. It has been shown to inhibit the growth of bacteria, such as Staphylococcus aureus and Escherichia coli, in vitro. The synthesis of 2AP can be achieved through a two-step reaction between ammonium salt and sulfate ester. This chemical synthesis uses the following parameters:

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.

Versatile small molecule scaffold

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.

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.

2,5-Dioxopyrrolidine-1-carbonitrile is a ligand that binds to boronic acids and is used in the synthesis of drug molecules. The synthesis of 2,5-dioxopyrrolidine-1-carbonitrile requires the reaction of a pyridine ring with an aryl boronic acid, followed by hydrolysis to release the lactam. This synthetic process can be modified to produce amines.

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

6H,7H,8H,9H,11H-Pyrido[2,1-b]quinazolin-11-one is a biomolecular compound that belongs to the class of aminophenols. It is synthesized by the oxidative coupling of deoxyvasicinone with sodium hypochlorite and irradiation. The reaction time for this reaction is 10 minutes at room temperature. 6H,7H,8H,9H,11H-Pyrido[2,1-b]quinazolin-11-one has been shown to have antimicrobial activity against bacteria and fungi in vitro. Its structure is similar to mackinazolinone and synthetic analogues such as 2-(4'-aminophenyl)thiazole. 6H,7H,8H,9H,11H-Pyrido[2,1-b]quinazolin-11-one also reacts with dien

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

3-Chloro-4-iodoaniline is an activated, synthetic chemical that is used in the preparation of a variety of chemicals. 3-Chloro-4-iodoaniline can be prepared by the reaction of chloroacetic acid with nitrobenzene and hydrochloric acid. The compound may be purified by vacuum filtration and recrystallization from water. It is also a precursor to other chemicals that are used in the production of polyhalogenated aromatic compounds. 3-Chloro-4-iodoaniline has been found to react with amines and form the corresponding amides, which may be useful for chemical synthesis.

(4-Methylphenyl)(oxo)acetic acid is a chlorinated compound that has a reactive functional group. This chemical is used as a reagent in organic synthesis and has been shown to be a useful additive in organic reactions involving chloride compounds. The reaction mechanism of this compound is that it reacts with the oxidant, dehydrogenative or surrogates such as acetonitrile and hydrogen peroxide, to produce the desired product. In addition, (4-methylphenyl)(oxo)acetic acid can also be used as an acylation agent in the synthesis of disulfides.

Versatile small molecule scaffold