Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Piperazine-1-sulfonamide is a protein inhibitor that belongs to the group of regulatory agents. It is used to regulate the growth of various types of cells, including immune cells and smooth muscle cells. Piperazine-1-sulfonamide has been shown to inhibit chemokine receptor activity in inflammatory bowel disease, which may be due to its ability to inhibit CXCR4 and CCR5 receptors. This drug also inhibits dpp-iv, an enzyme involved in protein degradation. The pharmacokinetic properties of this agent are not well studied, but it does show toxicity studies in rats at higher doses. Piperazine-1-sulfonamide can cause congestive heart failure and liver damage at high doses, so it should not be used for prolonged periods of time.

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

3-Iododibenzofuran is a fluorescent compound that has been used as a probe for the study of neutral endopeptidase activity. The compound is characterized by a high degree of thermal stability and an inhibitory potency at pH 7.0 that is approximately 3 orders of magnitude greater than that of the active site inhibitor, anthracene. 3-Iododibenzofuran can be synthesized using chemoenzymatic methods, with efficiencies and profiles that are similar to those obtained in the conventional method. This probe can also be used to investigate the functional role of proteins in living cells or tissues.
3-Iodobenzofuran has been shown to have pressor effects in rats and can cause tetrazole (a type of explosive) to detonate when heated, which makes it unsuitable for use in devices such as explosives or pyrotechnics.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Chloro-5-nitroquinoline is an oxidized aminoquinoline that is synthesized from nitric acid and benzene. It contains a nitro group, which makes it susceptible to oxidation. 2-Chloro-5-nitroquinoline is used as a solvent for rubber, plastics, and waxes. It can also be used as a solvent in the production of quinolines and other nitrogen compounds. Nitration of this compound produces 2-chloroquinoline, which can be transformed into 2-chloroquinolinium hydroxide by reaction with sodium hydroxide. The substituent on the ortho position can be determined by oleum or bromine water.

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

(3,3,3-Trifluoroprop-1-yn-1-yl)benzene is a reaction product that can be used to inhibit the activity of metalloprotease and as an anti-cancer agent. This compound inhibits the enzyme that causes chronic kidney disease and degenerative diseases. It is a potent inhibitor of metalloprotease, which is involved in cancer progression, fatty acid synthesis and bone formation. The effective dose for this drug is between 1 and 10mg/kg body weight. It has been shown to have an asymmetric synthesis with the use of amido groups. (3,3,3-Trifluoroprop-1-yn-1-yl)benzene also has antirheumatic properties due to its ability to inhibit proteases such as matrix metalloproteinases and cathepsins.

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

5-Ethenyl-2-methoxyphenol is a volatile compound that has been isolated from the bark of the cinnamon tree. It has shown anticancer activities "in vitro" and "in vivo". 5-Ethenyl-2-methoxyphenol has been shown to be demethylated by cytochrome P450 enzymes, which may result in its antitumor activity. This active compound can also be detected in postharvested fruit and vegetables as well as processed foods such as apple juice, tomato sauce, and dried fruits. 5-Ethenyl-2-methoxyphenol is responsible for the characteristic flavor of cinnamon, so it is often used as a flavoring agent in food processing.

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Benzenesulfonyl-piperidine-4-carboxylic acid ethyl ester is an inhibitor of acetylcholinesterase. It is a white solid that can be synthesized in two steps from commercially available starting materials. Inhibition of this enzyme leads to the accumulation of acetylcholine, which causes increased stimulation of nicotinic and muscarinic receptors. This drug has been shown to have IC50 values that are similar to those of the reference inhibitor donepezil. 1-Benzenesulfonyl-piperidine-4-carboxylic acid ethyl ester also interacts with sulfonyl chlorides, butyrylcholinesterase, and other proteins in a manner similar to donepezil. The molecular docking studies suggest that this compound binds competitively with the active site of acetylcholinesterase.

Versatile small molecule scaffold

Rac-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine-2-carboxylic acid is a chiral, stereospecific, cyclic sulfate that is synthetized by the reaction of glycol with lactam. It has been found to be effective against various types of cancer cells. Rac-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine 2 carboxylic acid is an enantiopure compound that can be used as an intermediate in the synthesis of antiinflammatory drugs such as kainic acid.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Chloro-4-iodoaniline is an activated, synthetic chemical that is used in the preparation of a variety of chemicals. 3-Chloro-4-iodoaniline can be prepared by the reaction of chloroacetic acid with nitrobenzene and hydrochloric acid. The compound may be purified by vacuum filtration and recrystallization from water. It is also a precursor to other chemicals that are used in the production of polyhalogenated aromatic compounds. 3-Chloro-4-iodoaniline has been found to react with amines and form the corresponding amides, which may be useful for chemical synthesis.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Acetic acid, dibromo-, ethyl ester is a reactive molecule that can be used as a nucleophilic substituent. It has hydroxyl group and ruthenium complex. It is a particle that can be used in the production of monoclonal antibodies. Acetic acid, dibromo-, ethyl ester also has viscosity and polycarboxylic acid. This chemical reacts with β-unsaturated ketones to form polymerization initiator. Acetic acid, dibromo-, ethyl ester also has carbonyl group and monoclonal antibodies. Acetic acid, dibromo-, ethyl ester can be conjugated with ethyl bromoacetate to produce conjugates.

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.