Building Blocks

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

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

Methyl 3-methanesulfonamidobenzoate is an organic compound that is used as a reagent in organic synthesis. It has the chemical formula CH3O2C(CH2)2SO2CH=NOH. Methyl 3-methanesulfonamidobenzoate is a methyl ester of benzoic acid, which is also known as methyl benzoate. This compound has been shown to react with DNA, forming adducts with guanine and cytosine bases.

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

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.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Fluorobenzoyl isothiocyanate (FBITC) is a fluorescent molecule that binds to the glutamate receptor. The binding of FBITC to the GluN2B subunit of the NMDA receptor leads to conformational changes in the receptor and decreases its ability to bind glutamate. This process has been shown using x-ray diffraction data, which also showed that FBITC was able to chelate with magnesium ions, indicating a possible allosteric modulator for these receptors.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Bromo-2-(methoxymethyl)benzene is a boronic acid that is used in the synthesis of palladium complexes. It is synthesized by reacting 1-bromobenzene with methanol and methoxymethyl chloride. The 1-bromo-2-(methoxymethyl)benzene has been used as a ligand for palladium complexes, which are often used to catalyze organic reactions, such as the metathesis reaction. Synthetic methods have been developed to produce the compound and NMR spectra have been obtained to provide kinetic data on these reactions.

2-Bromobenzaldoxime is a biologically active molecule that has been shown to have significant physiological activities. It is an aldehyde, which is metabolized by the liver or kidneys into the corresponding alcohol, 2-bromoethanol. 2-Bromobenzaldoxime has been shown to be synthesized from diethyl ether and potassium phosphate in the presence of amino acids. The reaction proceeds with dehydration of the intermediate bromohydrin to form an aldoxime. This molecule can be used as a pharmaceutical drug for various diseases such as diabetes mellitus, hypertension, and inflammation.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Methylbenzene-1,3-dicarbaldehyde is a divalent hydrocarbon that has an oxidation catalyst. This compound is used as an intermediate in the production of drugs and pharmaceuticals. It has been shown to have cardiovascular disorders, such as vasodilatation and hypotension. The mechanism of action is not fully understood but may be related to its ability to act as a nitrovasodilator by increasing nitric oxide (NO) release. 2-Methylbenzene-1,3-dicarbaldehyde also produces psychotic disorders when long term exposure occurs. This compound has been shown to have neurotoxic effects in animal models with long term exposure.

3-Chlorophenylurea is a quinazolinone that inhibits the growth of candida glabrata. This compound has been shown to inhibit efflux pumps, which are proteins that pump out drugs from the cell. 3-Chlorophenylurea has been shown to inhibit the efflux of fluconazole, a drug used to treat fungal infections, and thiourea, a compound that is known for its cytotoxicity. The inhibition of these two compounds suggests that 3-chlorophenylurea could be an efflux pump inhibitor.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-(4-Fluorophenyl)acetamide (FFAA) is a broad-spectrum antiviral drug that has been evaluated against picornavirus, enterovirus, and rhinovirus. FFAA has been shown to be effective in the treatment of acute enterovirus infections in mice. This compound was also found to have a cytopathic effect on cells infected with enteroviruses in culture. It binds to the virus's RNA-dependent RNA polymerase and prevents viral replication. FFAA is not active against influenza A or B viruses, but it is active against influenza C virus. This compound has also been found to have medicinal properties, as it can inhibit the growth of human lung cancer cells in culture and may be useful for treating cancers such as leukemia.

Benzo[d][1,2,3]thiadiazole is a benzothiadiazole with a redox potential of -0.25 V that is stable in the absence of oxygen and light. It can be used to synthesize chemical pesticides by reacting with hydrochloric acid. The reaction mechanism of benzo[d][1,2,3]thiadiazole has been determined using nuclear magnetic resonance spectroscopy and quantum chemical calculations. This compound reacts with hydrogen bond acceptors on the enzyme active site to form covalent bonds. It also interacts with the enzyme's steric environment by forming hydrogen bonds and van der Waals forces. Benzo[d][1,2,3]thiadiazole also emits light when it reacts with nitric oxide in solution.

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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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%.

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.