Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Piperazine-2-carboxamide is a synthetic drug that is used to treat tuberculosis. It binds to the mycolic acid of the bacterial cell wall, preventing it from forming an outer layer and disrupting its function. Piperazine-2-carboxamide also inhibits the synthesis of fatty acids and amines in bacteria, which are necessary for their survival. This drug can be synthesized by reacting piperazine with formaldehyde and acetamide.

Versatile small molecule scaffold

JNJ 37822681 is a novel, potent, and selective small molecule inhibitor of the enzyme fatty acid amide hydrolase (FAAH), which is involved in the degradation of anandamide, a cannabinoid receptor ligand. The compound has been shown to be efficacious in animal models predictive of antipsychotic activity.

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

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

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

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

2-Methylsulfonylthiophene is a modulating agent that can inhibit the activity of carbonic anhydrase, adenosine receptors and 5-membered heteroaryl. It has been shown to have affinity for CB1 receptor antagonists and is used to treat cardiovascular diseases. 2-Methylsulfonylthiophene also inhibits the enzymatic activity of anhydrase in the eye, which leads to suppression of intraocular pressure (IOP). The drug also has anti-glaucoma effects by reducing the production of aqueous humour. 2-Methylsulfonylthiophene is used as a dyestuff intermediate and as an organic solvent.

Cyclopropyl(3,4-dimethylphenyl)methanone (CPM) is a synthetic cannabinoid that has been shown to have similar effects to the natural cannabinoids found in cannabis. CPM binds to and activates the CB2 receptor, which is found on cells of the immune system, brain, and other organs. It has been studied for its ability to reduce glioma tumor growth in mice by inhibiting glutamate release. The molecular modeling study showed that CPM binds to the receptor with a geometry similar to other CB2 agonists like JWH-133. In addition, CPM inhibits locomotor activity in rats and has been shown to produce some symptoms of anxiety in mice. A receptor knockout study with mice showed that CPM can bind to CB2 receptors without activating them. X-ray diffraction data indicated that CPM is an achiral molecule with an idealized molecular geometry of "s".

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

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-Phenylbut-2-enoic acid is a prochiral, carbonyl compound that can be used in the synthesis of chiral pharmaceuticals. Mechanistic studies have shown that 3-phenylbut-2-enoic acid is a catalytic hydrogenation reagent that converts prochiral substrates to their corresponding chiral products. When combined with binap and butenoic acid, 3-phenylbut-2-enoic acid can catalyze the asymmetric synthesis of butenoate. The reaction yields high enantiomeric excesses and good yields.

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-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

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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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.