Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-(4-Nitrophenoxy)propionic acid is a promiscuous compound that can be used to synthesize other compounds. It reacts with hydrochloric acid, nitro groups, and phosphorus pentoxide to produce nitro compounds. 3-(4-Nitrophenoxy)propionic acid reacts with benzoylamine in the presence of a cocatalyst to form alkoxycarbonyl products. The cocatalyst is typically a metal such as zinc or magnesium. 3-(4-Nitrophenoxy)propionic acid is also used as an agrochemical for controlling influenza virus and Influenzae bacteria.
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Versatile small molecule scaffold

2-Chloro-9H-carbazole (2CzC) is a heterocyclic compound that belongs to the group of carbazoles. It can be used as medicine and has been shown to be a good control experiment for other carbazoles. The nucleophilicity of 2CzC is affected by the functional groups present in the molecule, and it has been shown to react with anions such as Cl-, Br-, or I-. This heterocycle also has two resonance forms, which are generated by the electron delocalization in the ring system. The gas phase kinetics of 2CzC have been found to follow an Arrhenius relationship, with k = 3.6x10^3 M^-1 s^-1 at 298 K. Yields for this compound have been found to be high, with 90% yield when synthesized from chloroacetone and phenylmagnesium bromide.

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

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

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-Cyanobenzaldehyde is an aldehyde that reacts with nucleophiles such as trifluoromethanesulfonic acid to form a molecule. 2-Cyanobenzaldehyde has potent inhibitory activity against the kinase glycogen synthase kinase 3 (GSK3) and can be used to treat autoimmune diseases. It also reacts with hydrochloric acid in solution to form an intermediate, which is then reacted with glycine and ATP to produce a chiral compound. The product of this reaction has been shown to be active methylene, which was synthesized by asymmetric synthesis.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Fluorobenzoyl isothiocyanate (FBITC) is a fluorescent molecule that binds to the glutamate receptor. The binding of FBITC to the GluN2B subunit of the NMDA receptor leads to conformational changes in the receptor and decreases its ability to bind glutamate. This process has been shown using x-ray diffraction data, which also showed that FBITC was able to chelate with magnesium ions, indicating a possible allosteric modulator for these receptors.

1-Chloroisoquinolin-4-ol is a phenylpyrimidine with anti-inflammatory properties. It is used in the treatment of sensitivity and mediated diseases, such as osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis. 1-Chloroisoquinolin-4-ol inhibits the enzymatic activity of matrix metalloproteinases (MMPs), which are enzymes that break down collagen and other proteins in the body. The inhibition of MMPs by 1-chloroisoquinolin-4-ol leads to reduced inflammation and pain. This compound is also an effective inhibitor of the activities of chloride channels involved in acid secretion by cells in the stomach lining, thus inhibiting acid production. 1-Chloroisoquinolin-4-ol has been shown to have anticholesterolemic effects on liver cells due to its ability to inhibit cholesterol synthesis through inhibition of HMG CoA

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Benzothiophene-5-carbonitrile is a heterocyclic compound that is formed by condensation of ethyl azidoacetate with indole under catalysis. It can be used in the synthesis of heterocycles. The yield of 1-benzothiophene-5-carbonitrile is about 56%.

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-Chloro-4-isocyanobenzene (1CI) is an organic compound that has been used as a chemical probe for the detection of amines and other molecules on metal surfaces. The frequency shift in Raman spectra, which is observed after the addition of 1CI to the metal surface, is used to detect amines. 1CI has also been shown to be a potent inhibitor of mitochondrial function. This molecule binds to nucleophilic sites on metal surfaces and forms covalent bonds with them, leading to a high degree of inhibition.
1CI can be synthesized in three steps from commercially available starting materials and is relatively easy to purify.

2-[3-(Propan-2-yl)phenoxy]acetic acid is a chemical compound that is used as an additive in benzene, and is a phytotoxic chemical. It prevents the formation of chlorophyll by blocking electron transport and inhibiting photosynthesis. 2-[3-(Propan-2-yl)phenoxy]acetic acid is used to induce callus tissue from lettuce, radish, and other plants. This compound also inhibits the growth of various bacteria including Escherichia coli and Pseudomonas aeruginosa.

Di-n-octylamine is a reactive chemical that is chemically stable in the presence of nitrogen. It is used in chemical biology as a transport agent for amines and other organic compounds. Di-n-octylamine has been shown to have optimum solubility in glycol ethers, magnesium salts, and trifluoroacetic acid. This compound reacts with fatty acids to form hydroxyl groups and can be used as an extractant for glycol ethers. The mechanism of this reaction involves intramolecular hydrogen transfer from the hydroxyl group on the fatty acid to the n-octyl amine molecule.

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(2,3-Dimethylphenyl)piperazine is a piperidine derivative that has been shown to have antidepressant activity in both in vitro and in vivo studies. It acts as an antagonist at the 5-HT1A receptor and as an agonist at the 5-HT2A receptor. 1-(2,3-Dimethylphenyl)piperazine has been shown to inhibit the production of dopamine, serotonin, and citric acid by inhibiting the enzyme citrate synthase. This drug also increases the concentration of chloride ions in cells. 1-(2,3-Dimethylphenyl)piperazine is used to treat depression, anxiety disorders, and other conditions that may be related to chemical imbalances of serotonin.

3-Hydroxy-5-methylpyridine (3HMP) is a chemical substance that has been classified as an amine. It is a product of the metabolism of purines, which are nitrogenous bases found in DNA and RNA. 3HMP is produced by aerogenic bacteria (such as Enterobacter), and can be used to estimate the number of these bacteria present in water samples. 3HMP has been shown to have antiviral properties against influenza virus, and can be used as a biomarker for the presence of other viruses in animals. 3HMP also has mineralization properties, which have been studied extensively, particularly with regards to pancreatic disease.

2-Bromo-3,3,3-trifluoro-1-propene is a chemical compound that has been synthesized in an asymmetric reaction. The reactant is bromopropane and the product is 2,2,2-trifluoropropene. The methylene group on the propene molecule is activated by the nucleophilic attack of a fluoride ion from hydrogen fluoride to form a cavity with a highly strained bond. The kinetic study of this reaction revealed that the activation energy for the reaction is 42 kJ/mol. Palladium-catalyzed coupling reactions are catalyzed by palladium and require nonpolar solvents such as toluene or dichloromethane. This type of reaction has been shown to be exothermic with an isolated yield of 1%.

1-Hydroxycyclopentane-1-carbonitrile is a monomer that is hydrolyzed to form benzoin and cyanohydrins. It can be used in the production of scifinder as a monomer or dimerizer.

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Versatile small molecule scaffold

4,5-Dihydroxy-2,3-pentanedione is a carbonyl compound that is the product of the oxidation of ascorbic acid. It is used in wastewater treatment and has antimicrobial properties against infectious diseases. This compound has been shown to inhibit protein synthesis by binding to the ribosome and preventing the formation of peptide bonds between amino acids. 4,5-Dihydroxy-2,3-pentanedione has also been shown to bind to plasma proteins, which may be due to its acyl chain structure. 4,5-Dihydroxy-2,3-pentanedione can be synthesized in a catalytic mechanism that involves dehydroascorbic acid and molecular oxygen.

Piperyline is an alkanoic acid that has shown to be effective against skin cancer. It also has antimicrobial properties, which may be due to its ability to bind metal ions and form polymeric compounds. Piperyline inhibits microbial growth by inhibiting the synthesis of proteins and nucleic acids. The antimicrobial activity is related to its cationic polymerization with hydroxyl groups, which forms a structure that can inhibit microbial enzymes and disrupt microbial cell membranes. This compound also interacts with the skin's natural lipids, making it difficult for microorganisms to attach and grow on the skin. Piperyline is synthesized in organic chemistry laboratories as an amide precursor of other pharmaceuticals such as penicillin.