Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2,4-Dimethylfuran-3-carboxylic acid is a dianion that is used as a fungicide. It has been shown to be effective against many plant diseases, including powdery mildews, rusts, and sooty molds. The methyl ester of 2,4-dimethylfuran-3-carboxylic acid can be synthesized in the laboratory from cyclohexanone and methylamine. The reactive methyl group of the dianion catalyzes the reaction with hydroxyl groups on other molecules, forming an amide or alkylating agent. This reaction occurs stereoselectively when one of the hydrogens on the carbon adjacent to the carboxylate group is also replaced by a methyl group.

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-Methyl-2-oxoimidazolidine-4-carboxylic acid is a metabolite of imidazolines. It is a chemical substance that is produced during the metabolism of many substances, including drugs and environmental contaminants. 1-Methyl-2-oxoimidazolidine-4-carboxylic acid exposure has been associated with an increased risk for neurodegenerative disease, such as Parkinson's disease. 1MICA can be measured in urine using liquid chromatography tandem mass spectrometry or gas chromatography methods.

Versatile small molecule scaffold

3-(methylamino)benzonitrile is an analogue of benzodiazepine compounds that has potent anxiolytic activity. It is a white, crystalline solid that is soluble in organic solvents. 3-(Methylamino)benzonitrile has been shown to have toxic effects on the liver and kidneys, as well as to produce neurological disorders such as seizures and coma. This drug is broken down by the body into a number of metabolites, including benzylamine, which can be found in the urine of patients taking this drug.

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.

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

2-Hydroxyethyl benzoate is a model system that has been used to study the mechanism of hydrolysis of an ester with a hydroxyl group. The reaction products are a metal hydroxide and a chloride ion. 2-Hydroxyethyl benzoate is an antimicrobial agent that has shown activity against bacteria, fungi, and protozoa. It is thought to work by reacting with fatty acids in the cell membrane, leading to disruption of the membrane and leakage of cellular contents. It also reacts with chloride ions to form hydroxybenzoic acid and water molecules. The activation energy for this reaction was found to be around 19 kJ mol−1.

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%.

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.