Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Ethyl 4-aminonicotinate is a cyclic amine with a chemical formula of C6H11NO2. It has a molecular weight of 117.07 g/mol, and its molecular structure consists of an ethyl group attached to the amino group. The molecule has three resonance peaks in the infrared spectrum at 2,617cm-1 (ν(C=O)), 1,906cm-1 ((C=N)), and 1,723 cm-1 (ν(NH)). In addition to these peaks, the molecule also has two magnetic resonance peaks at 2.24ppm (δ) and 3.38ppm (δ). This compound is soluble in water and can be used as an intermediate in organic synthesis or pharmaceuticals.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Vinyltributyltin is a dibutyltin oxide (DBTO) enantiomer that has been shown to inhibit the HIV-1 protease. Vinyltributyltin has also been shown to reduce inflammation in bowel disease, as well as to have synergistic effects with other drugs in the treatment of cancer and inflammatory bowel disease. The mechanism of action of vinyltributyltin is not yet known, but it may be related to its ability to inhibit the quinazolone-dependent formation of reactive oxygen species. Vinyltributyltin also inhibits the NS3 protease, which is an enzyme involved in hepatitis C virus replication.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

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%.

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.

Versatile small molecule scaffold

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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.