Building Blocks

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

2-[Benzyl(methyl)ao]propanoic acid is a glycine analogue that has been synthesized and characterized. It is an α-amino acid with the chemical formula C5H11NO2. The molecule has a chiral carbon atom at the center of the propanoic acid group and contains two asymmetric carbon atoms on the benzene ring, which enable it to exist in two stereoisomers. The compound has been shown to exhibit interligand interactions with copper as well as stereoselectivity in its interactions with l-amino acids. 2-[Benzyl(methyl)ao]propanoic acid also exhibits dichroism spectra, which are unique to these types of molecules.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Chlorophenylurea is a quinazolinone that inhibits the growth of candida glabrata. This compound has been shown to inhibit efflux pumps, which are proteins that pump out drugs from the cell. 3-Chlorophenylurea has been shown to inhibit the efflux of fluconazole, a drug used to treat fungal infections, and thiourea, a compound that is known for its cytotoxicity. The inhibition of these two compounds suggests that 3-chlorophenylurea could be an efflux pump inhibitor.

2,5-Dihydroxyterephthalaldehyde (2,5-DTPA) is a sugar alcohol that is used in the production of polyester. It can be synthesized by electrochemical methods and is produced as an intermediate in the synthesis of 2,5-dihydroxypentane-1,5-diyldimethanol. The optical properties and chemical stability of 2,5-DTPA are determined by its protonation state. The protonation state depends on the pH of the solution or solvent. 2,5-DTPA has two isomers: one with an intramolecular hydrogen bond and one without. 2,5-DTPA also exists as an enol form at high pH values and as a keto form at low pH values. This compound has been shown to have liver protective effects against cell death induced by oxidative stress in animal models.

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

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.

6-Chloro-9-(propan-2-yl)-9H-purine is an intermediate in the synthesis of nucleoside analogues. It is obtained by the catalyzed reaction of acetonitrile and purines, which undergoes regioisomerization to form a mixture of 6-chloro-9-(propyl)- and 6-chloro-9-(butyl)purine. This intermediate can be used for the alkynylation of amino acids or peptides with alkynes. The selective formation of one regioisomer can be achieved by using a chiral catalyst or by reacting with an optically active reagent such as (+)-camphor sulfonic acid.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Ethylpyridin-4-amine is a pyridine that can be synthesized from the amination of 4-nitrophenol. It can also be synthesized by acylation of 2-ethylpyridine with ethyl chloroformate followed by cyclization. This compound has shown to have high yields in reactions involving pyridines and it is often used as a precursor for other compounds.

Versatile small molecule scaffold

Versatile small molecule scaffold

5-Phenyl-1H-pyrazin-2-one is a potent inhibitor of tyrosine kinase, which is an enzyme that regulates the activity of cells by transferring phosphate groups from ATP to tyrosine residues. This drug binds to the ATP binding site, resulting in inhibition of the enzyme's activity and reduced cell proliferation. 5-Phenyl-1H-pyrazin-2-one has been shown to be effective in treating rheumatoid arthritis and other autoimmune diseases, with no adverse effects on bone metabolism or blood pressure. It also has no effect on platelet aggregation or erythrocytes.

Versatile small molecule scaffold

3,5-Dichlorophthalic acid is a divalent organic acid that is used as an intermediate in the production of other chemicals. 3,5-Dichlorophthalic acid is used as a regulator of plant growth and development. It can also be used to make different n-substituted compounds, such as naphthalene, phthalic anhydride, and 2,6-dichloro-pyridine.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2,4-Dibromo-6-nitroaniline is a nitro compound that has been used in the production of dyes. It is also used as a component in the synthesis of other organic compounds. 2,4-Dibromo-6-nitroaniline can be produced by electrolysis of an acid solution containing radical cations and benzene. The radical cations are formed by proton transfer from the acid to the benzene, followed by electron transfer from benzene to the electrode. This process results in the formation of nitro groups on the benzene ring, which undergoes oxidation to form 2,4-dibromo-6-nitroaniline. The cyclic voltammetry shows that this process occurs via two pathways: one with a fast rate and one with a slow rate. The mechanism for this reaction is not yet known.

2-Phenyl-1,3,4-oxadiazole is a 2-phenyloxazole with an oxygen atom at the 1 position. It is a white crystalline solid that is soluble in water and has antibacterial properties. This chemical can be used as a catalyst for the synthesis of organic compounds. 2-Phenyl-1,3,4-oxadiazole reacts with nitro groups to form oxime derivatives and has been shown to inhibit the growth of fungi such as Candida albicans and Aspergillus niger. 2-Phenyl-1,3,4-oxadiazole can also be used as an antifungal agent against Trichophyton rubrum.
2-Phenyl-1,3,4-oxadiazole may be synthesized by reacting phenol with acetone in the presence of nitric acid or sulfuric acid. The structural formula for this compound is

Versatile small molecule scaffold

Methyl 2-octynoate is a chemical that has been shown to bind to the nicotinic acetylcholine receptor. Methyl 2-octynoate has been shown to have antitumor activity in various types of cancer cells, including breast, prostate, and lung cancer cells. This chemical is not known to be chemically stable or film-forming. It also disrupts mitochondrial membrane potential and reduces the endpoints of oxidative phosphorylation. Methyl 2-octynoate was found to have low potency against cancer cells in vitro and in vivo.

Versatile small molecule scaffold

2-Allylcyclohexanone is an unsaturated ketone that is synthesized by the ring-opening of allyl cyclohexane carboxylate with sodium hydroxide. It can be used as a chemical intermediate for the synthesis of other compounds. 2-Allylcyclohexanone can also be used to react with hydroxide solution to produce a salt and an alcohol. The hydroxide solution can act as a base, reducing the carbonyl group in the presence of an acid to form the corresponding alcohol. This reaction is stereoselective because it only occurs when there are two different groups on adjacent carbons.
2-Allylcyclohexanone has been shown to inhibit non-nucleoside reverse transcriptase inhibitors (NNRTIs) such as nevirapine, efavirenz, and delavirdine. In addition, it has been found to have functional groups that are capable of reacting

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

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.

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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.

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.