Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

4-(2-Methylphenyl)-3-thiosemicarbazide is a crystalline solid that belongs to the group of benzoic acid derivatives. It has an orthorhombic crystal structure, with a yellow color. The crystals are measured at room temperature, and it has an atomic weight of 197.11 g/mol. 4-(2-Methylphenyl)-3-thiosemicarbazide is stable in air and in solution, but decomposes at temperatures above 250°C. This compound has been studied by using X-ray diffraction measurements and Bruker parameters. Its isotropic radiation is recorded at the following wavelength: 1.5418 Å (1).

Versatile small molecule scaffold

Versatile small molecule scaffold

2-[(3-Nitrophenyl)formamido]acetic acid (2NPA) is a modifying agent that has been used in the modification of carboxyl groups. It can react with nucleophiles to form adducts and with carbodiimides to form ureas. 2NPA reacts with amino acids, peptides, and other nitrogenous compounds at their carboxyl groups to form ester or amide bonds. The nature of the residues after modification varies depending on the nature of the carboxyl group that was modified.

Versatile small molecule scaffold

4-(2-Hydroxyethyl)-2,6-dimethoxyphenol is a phenolic compound that can be extracted from the bark of the Indian tree Terminalia arjuna. The extract has been used in traditional medicine for centuries to treat diabetes and cancer. In vitro studies have shown that this extract inhibits the activity of viruses, including HIV, with a mechanism of action similar to that of indinavir. 4-(2-Hydroxyethyl)-2,6-dimethoxyphenol also has an antioxidant effect and stimulates the production of glutathione reductase and superoxide dismutase by cells in culture. 4-(2-Hydroxyethyl)-2,6-dimethoxyphenol is used as an herbal drug in India and research has found it to be hepatoprotective when administered orally to rats.

Versatile small molecule scaffold

Ethyl 1-amino-1-cyclobutanecarboxylate monohydrochloride is a cyclic carbonyl compound that is used as a building block in organic synthesis. It has been used to synthesize a number of natural products, such as piperarborenine and cyclobutanes. This compound can be synthesized by reacting ethyl chloroformate with cyclobutanecarbaldehyde in the presence of an acid or base catalyst. The steric and geometric properties of this molecule are highlighted below.

Versatile small molecule scaffold

2-Cyclopentyloxy-benzaldehyde has potent inhibitory activity against inflammatory diseases. It is a chemical compound that contains an amido group and two cyclopentyloxy groups. 2-Cyclopentyloxy-benzaldehyde inhibits the activation of glycogen synthase kinase-3, which is a protein that regulates inflammation in the body. This substance can be used to inhibit the spread of HIV or viral infections by inhibiting protein synthesis in these viruses. 2-Cyclopentyloxy-benzaldehyde also has an inhibitory effect on cachexia, which is a condition characterized by weight loss, muscle wasting, and fatigue.

Versatile small molecule scaffold

Versatile small molecule scaffold

Tetrahydroquinolin-2(1H)-one is a hydrobromide that has been found in the environment as an environmental pollutant. Tetrahydroquinolin-2(1H)-one is used to synthesize amides and has been studied by single-crystal x-ray diffraction. The molecule is centrosymmetric, with a molecular weight of 244.06 g/mol. Tetrahydroquinolin-2(1H)-one can be used as a ligand for metals such as chlorine and magnesium. It does not dissolve in water but does dissolve in organic solvents such as ethers, chloroform, or benzene.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4'-(Methylsulfonyl)acetanilide is an organic compound that has been shown to have antibacterial and antiviral activity. It targets the benzene nucleus, and inhibits the synthesis of nucleic acids by inhibiting the enzyme ribonucleotide reductase. 4'-(Methylsulfonyl)acetanilide also inhibits viral replication, by binding to the active site of a viral protein (a DNA polymerase), which blocks the incorporation of nucleotides into the virus's DNA. In addition, 4'-(methylsulfonyl)acetanilide is an anti-helminthic agent, as it can inhibit worm motility and kill larvae in vitro. The structure-activity relationships between this molecule and other benzimidazole derivatives were analysed in order to identify new potential drugs for treating diseases caused by viruses or parasites.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-[(3,5-Dimethylphenyl)formamido]acetic acid is a compound with diverse applications and characteristics. It is a diphenyl ether that can be used as an electrode material in various electronic devices. Additionally, it has cholinergic properties, meaning it affects the neurotransmitter acetylcholine in the nervous system.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3,4-Dihydro-2H-1-benzopyran-7-ol is a monomer that is used to synthesize medicines. It has the formula CH3COCH=CH(OH)CH3 and belongs to the group of flavonoids. 3,4-Dihydro-2H-1-benzopyran-7-ol has acidic properties, which are due to its isoflavones. It can be used as an acid catalyst in organic synthesis reactions and is a reaction product of chloropropane. 3,4-Dihydro-2H-1-benzopyran-7-ol also has high yield and can act as a bioisostere for other compounds such as chromene.

Trifloxacin is a broad-spectrum antibacterial drug that belongs to the class of formyloxy compounds and the cephalosporin family. It has been shown to be active against both Gram-positive and Gram-negative bacteria, with activity against strains resistant to penicillin, ampicillin, erythromycin, and chloramphenicol. Trifloxacin binds to the bacterial ribosome by displacement of a pyridyl group in the ribosomal RNA, inhibiting protein synthesis. This binding inhibits cell growth by preventing the production of proteins that are vital for cell division.
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Trifloxacin has also been found to inhibit DNA gyrase and topoisomerase IV in vitro. Trifloxacin's mechanism of action is similar to that of other quinolones such as norfloxacin and ciprofloxacin.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Phenylhydrazine is a white crystalline solid with a molecular weight of 150.25, and the molecular formula C6H5NHN. It is soluble in water, alcohol, ether and chloroform. Phenylhydrazine can react with an acid chloride to form a hydrazone; this reaction is used in the synthesis of some pharmaceuticals. The most common use of phenylhydrazine is as a precursor to various pharmaceuticals, such as antipyretics and anti-inflammatory agents. Phenylhydrazine reacts with zinc chloride to form 1-(5-methyl-1H-pyrazol-4-yl)ethanone.

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%.

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.