Building Blocks

3-Iodo-pyrazolo[1,5-a]pyridine is a boronic acid that has been optimized for medicinal use. It is chemically synthesized by coupling with a boronic ester. 3-Iodo-pyrazolo[1,5-a]pyridine has shown potent anti-inflammatory properties in mice models.

2-[(Pyridin-2-yl)carbamoyl]benzoic acid is an organic compound that contains a benzamide and amide functional group. It is paramagnetic, which means that it has the ability to be attracted by a magnetic field. It also has intramolecular nucleophilic attack properties. 2-[(Pyridin-2-yl)carbamoyl]benzoic acid can be used in elemental analyses and as a catalyst for chemical reactions, such as the conversion of thiocyanate to cyanide. 2-[(Pyridin-2-yl)carbamoyl]benzoic acid is used in the production of dyes and pharmaceuticals, including antihistamines and analgesics.

Versatile small molecule scaffold

N-Benzyl-2-hydroxyacetamide is a synthetic molecule that is used in the synthesis of other molecules. It is synthesized by reacting benzaldehyde with 2-aminoethanol in the presence of hydrochloric acid and sodium hydroxide. The yields are typically high, as the reaction proceeds under relatively mild conditions with few side reactions. The mechanism of this reaction is nucleophilic addition of the amino group to the carbonyl carbon atom, followed by elimination of water. N-Benzyl-2-hydroxyacetamide can be converted to various other compounds through intramolecular reactions or substitutions on its molecular structure.

Benzo[b]thiophen-5-ol is a chiral molecule that has been synthesized to be homochiral. It has an active site and selective epoxide hydration activity, which is the rate-limiting step of epoxide ring opening reactions. The mechanism of this reaction is the cleavage of a C–C bond in an epoxide substrate by an O–H or S–H bond in benzo[b]thiophen-5-ol. The nature of this mechanistic bond cleavage reaction is unknown, but it may be due to catalysis by a benzyl group.

Versatile small molecule scaffold

Dibenzo[b,d]furan-4-ol is a biodegradable compound that can be synthesized in a stepwise manner. The compound can be assayed by using different methods including mass spectrometric and hplc analyses to determine the number of carbon atoms and functional groups present in the molecule. Dibenzo[b,d]furan-4-ol is used as a carbon source for many microorganisms. The compound has been shown to hydroxylate under aerobic conditions and also reacts with nitro groups to form nitroso derivatives. Magnetic resonance spectroscopy has been used to study the molecular structure of dibenzo[b,d]furan-4-ol, which has revealed that it is monosubstituted with two methyl groups. This compound is naturally found in filamentous fungi found in tropical regions.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Bromo-2,6-dichloroanisole (4BDCA) is a polychlorinated biphenyl congeners. It is used as a chemical intermediate in the synthesis of boronic acids and their derivatives. 4BDCA has high selectivity for human plasma over other tissues and can be used to study the metabolism of this compound in humans. The high selectivity of this compound may be due to its ability to form hydroxylated metabolites that are less toxic than the parent compound, which may be due to its ability to form hydroxy anisoles.

Versatile small molecule scaffold

(E)-4-Bromo-N'-hydroxybenzimidamide is a synthetic antifungal agent that is resistant to many microorganisms. It is a potent inhibitor of the uptake of β-amyloid peptide in rat cortical neurons and also inhibits the modification of β-amyloid. This drug has been shown to have pharmacological effects on bacterial cells, including inhibition of protein synthesis and DNA synthesis. The molecular basis for these interactions is not known, but it has been suggested that (E)-4-Bromo-N'-hydroxybenzimidamide interacts with the pharmacophore site on bacteria and binds to nitrogen atoms that are important for binding. These interactions are bioisosteric with oxadiazole derivatives such as clotrimazole, which have been shown to inhibit protein synthesis in fungi. The drug has also been used as a radiotracer to study the uptake of β-amyloid peptides by neurons

3-formylpyridine-2-carboxylic acid is a phenylhydrazine derivative, which is a white crystalline solid. It is soluble in solvents such as chloroform and methanol, but insoluble in water. 3-Formylpyridine-2-carboxylic acid can be prepared by the chlorination of pyridine or by alkaline hydrolysis of its esters with sodium hydroxide. It can also be synthesized from the reaction of phenylhydrazine with formaldehyde in organic solvents. 3-Formylpyridine-2-carboxylic acid has been shown to react with carbonyl compounds to form a conjugated system through an addition reaction and to form esters that are soluble in organic solvents. The yield of this reaction depends on the solvent used and the temperature at which it is carried out.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

5-Phenylthiophene-2-carboxaldehyde is a molecule that inhibits the activity of tyrosinase, an enzyme involved in melanin biosynthesis. It reacts with the formyl group of tyrosinase to produce a reactive intermediate that undergoes a series of reactions with methyl ketones to inhibit the reaction mechanism. The inhibition of tyrosinase by 5-phenylthiophene-2-carboxaldehyde has been shown to be reversible and competitive. This molecule has also shown antibacterial activities against Gram positive and Gram negative bacteria. 5-Phenylthiophene-2-carboxaldehyde may also have potential for use as a ferroelectric material due to its ability to crystallize in the orthorhombic system. This molecule also exhibits optical properties such as fluorescence, phosphorescence and photoluminescence.

Versatile small molecule scaffold

1-(Prop-2-yn-1-yl)cyclohexan-1-ol is a colorless liquid with a sweet odor. It is soluble in most organic solvents, including ethanol and ether. It has been used as an intermediate for the synthesis of other organic compounds.

2-Bromo-3-chloronitrobenzene is an estrogenic compound that binds to the estrogen receptor. It has been shown to have anticancer activity in animal studies, which may be due to its ability to inhibit transcriptional activity and induce apoptosis. 2-Bromo-3-chloronitrobenzene has been used as a starting material for synthesis of other compounds and exhibits moderate affinity for the estrogen receptor. This compound can be synthesized by a palladium-catalyzed cross-coupling reaction of 2-bromobenzyl bromide and chloroacetone, followed by treatment with salicylaldoxime in the presence of base.

2,5-Dimethoxybenzenesulfonamide is a piperidine derivative that has been shown to be an efficient electrophile. 2,5-Dimethoxybenzenesulfonamide reacts with protonated metal surfaces, forming a monolayer of high surface area and low coverage. The affinity of this compound for the metal surface is due to its nucleophilic nature. This compound displays a strong adsorption to the metal surface and provides protection from corrosion by acting as an oxygen scavenger. Experimental results have shown that 2,5-dimethoxybenzenesulfonamide exhibits higher efficiencies in the presence of other reactive compounds.
2,5-Dimethoxybenzenesulfonamide was used in computational simulations to study the effects of different parameters on the adsorption process. The use of these simulations can provide insight into how changes in experimental conditions affect the efficiency of this molecule.

Versatile small molecule scaffold

2-Iodocumene is a chemical that belongs to the group of unsymmetrical carbonyl compounds. It is an intermediate in the synthesis of saccharin and other organic chemicals, as well as in the production of pharmaceuticals. 2-Iodocumene can be used as a ligand in metal-catalyzed cross-coupling reactions between organometallic reagents and various types of electrophiles. This compound has been shown to react with iron at room temperature to form an active catalyst for the regioselective cleavage of C-C bonds. The mechanistic studies have revealed that 2-iodocumene acts as an electron acceptor and a nucleophile, which allows it to act as a bifunctional catalyst during these reactions. The reaction rate depends on steric hindrance, which may be due to the presence of carbonyl groups or cyclic structures. The mechanism is supported by computational studies using density functional

1-Phenylpent-4-yn-1-ol is a ketone that can be synthesized by the desulfonylation of 1,3-dibromopropane. It is a radical that has been shown to have potential in the synthesis of polymers and pharmaceuticals. This compound undergoes sequential desulfonylative coupling with alcohols such as phenylethyl alcohol to produce phenylethylphenol. The use of 1-phenylpent-4-yn-1-ol in this process makes it an environmentally friendly alternative to other more toxic reagents.

This molecule is a synthetic, physicochemical drug that is used to treat women with metastatic breast cancer. It binds to glutamate receptors and blocks the metabotropic glutamate receptor. Pyrazolo[1,5-a]pyridine has been shown to be effective in clinical trials in treating melanotic lesions. The drug has been shown to have a dose-dependent effect on the central nervous system and can lead to death due to cardiac arrest.

2,4-Diethoxybenzoic acid is a chemical compound which is found in the essential oil of the plant Dalbergia sissoo. It has been shown to have anti-inflammatory properties and to be a potential therapeutic agent. 2,4-Diethoxybenzoic acid is an acetylated phenolic compound that is used in the production of heartwood extractions. It can act as a mathematical component and can be used in the synthesis of natural products such as isoflavanones. 2,4-Diethoxybenzoic acid has been shown to have antioxidant properties and to inhibit lipid peroxidation at high concentrations.

Versatile small molecule scaffold

1-Chloro-4-methoxyphthalazine is a new member of the family of phthalonitriles. It has been shown that this compound is electron rich and can be oxidized to give a radical anion, which can then be used for C-C bond formation. The elimination of chlorine from 1-chloro-4-methoxyphthalazine can take place electrochemically, following the mechanism of the reversible transfer reaction. This chemical property allows 1-chloro-4-methoxyphthalazine to act as an electron source in electrochemical reactions.

4-Chloro-2-methyl-5-nitrophenol is a white solid with an alkaline reaction. It is used in the production of sulfonated dyes, as well as in the manufacture of certain drugs and pesticides. 4-Chloro-2-methyl-5-nitrophenol can be made industrially by the elimination of toluene under acidic conditions. This product also reacts with nitric acid to form a radical intermediate that adds to a phenyl group, forming a nitro group at position 2 on the ring structure, yielding 4-(2'-methylpropyl)-phenylamine. This compound can also be made by reacting 2,4,5-trichlorophenol with phosphorus pentachloride or thionyl chloride. The resulting chlorinated compound is then oxidized to produce 4-(2'-methylpropyl)-phenylamine and HCl gas.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Chloro-1-(1H-indol-5-yl)ethanone is an aminated product that can be synthesized by the reaction of nitromethane and aluminium chloride. This product is a side-chain condensation product of indoline and chloroacetyl chloride. The product yields are about 68%.

Versatile small molecule scaffold