Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4H,5H-Pyrazolo[1,5-a]quinazolin-5-one is a class of heterocyclic compounds that inhibit the parp-1 and parp proteins. These inhibitors are low nanomolar to nanomolar in potency and have been synthesized from chloride and amides. They have been shown to be potent inhibitors of the growth of cancer cells.

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.

Versatile small molecule scaffold

Isoguvacine is an alkaloid that belongs to the group of pharmacological agents. It has been shown to have a synergic effect with other drugs, such as 5-HT2 receptor antagonists and 5-HT3 receptor antagonists, at the level of the plate test. Isoguvacine inhibits the cyclase enzyme, which catalyzes the conversion of ATP into cAMP. The inhibition leads to a decrease in cAMP levels and consequently a decrease in intracellular calcium levels. This drug also blocks glutamate receptors on neurons, preventing their activation by glutamate.

Versatile small molecule scaffold

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.

Versatile small molecule scaffold

Ethyl 2-(propan-2-yloxy)acetate is a high concentration organometallic compound that is an active substance. The organometallic compound consists of a magnesium atom, an aliphatic hydrocarbon group, and a polyolefin. It has been shown to have a blood pressure lowering effect in rats. Ethyl 2-(propan-2-yloxy)acetate is an ester compound that acts as an intermediate in the production of other substances with therapeutic properties.

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

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

2,4-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

2-Chloro-1-(4-ethoxyphenyl)ethan-1-one is a hydrocarbon radical that is used as a vitamin and in the synthesis of other molecules. This molecule has a covalent bond between the two chlorine atoms and one carbon atom. The hydrocarbon radical is also present in many hydrocarbons.

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-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%.

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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.

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.