Building Blocks

Versatile small molecule scaffold

2-[1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid is a potent inhibitor of peptide binding to the receptor. It has a Kd value of 0.2 μM and a Ki value of 1.6 μM in the inhibition of insulin binding to its receptor. 2-[1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid is also an activator of protein interactions and ligand for research tools used for studying ion channels and other receptors. This chemical can be used as high purity reagent for life sciences, including cell biology and pharmacology.

2-[Benzyl(methyl)ao]propanoic acid is a glycine analogue that has been synthesized and characterized. It is an α-amino acid with the chemical formula C5H11NO2. The molecule has a chiral carbon atom at the center of the propanoic acid group and contains two asymmetric carbon atoms on the benzene ring, which enable it to exist in two stereoisomers. The compound has been shown to exhibit interligand interactions with copper as well as stereoselectivity in its interactions with l-amino acids. 2-[Benzyl(methyl)ao]propanoic acid also exhibits dichroism spectra, which are unique to these types of molecules.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(2-Methylpyridin-3-yl)ethanone is a ketone that can be synthesized using the reaction of methyl sulfone, benzyl sulfone, and sulphone. It has been shown to have anti-inflammatory properties by inhibiting prostaglandin synthesis and has been used as a nonsteroidal anti-inflammatory drug (NSAID). 1-(2-Methylpyridin-3-yl)ethanone has also been shown to have analgesic effects in mice. This synthetic compound may be useful in treating inflammation, pain, and fever.

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-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

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

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.

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-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

5-Fluoro-2-nitrobenzoyl chloride is a conformationally locked macrocyclic compound that has been synthesized by solid phase synthesis. It is found in two conformational states and can be made to switch between these two states by applying a force to the molecule. This conformation can be controlled by changing the side chain of 5-fluoro-2-nitrobenzoyl chloride, which can be done experimentally. The conformational behavior of this macrocycle was studied using molecular dynamics simulations and it was found that there are four possible conformations for the molecule. The conformations with different side chains were found to have different energies, which could be used as a measure of their relative stability.

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

3-Hydroxy-N,N,3-trimethylbutanamide is a liquid at room temperature. It is an additive that can be used in the production of nitrocellulose and as a preservative for nitrate film. 3-Hydroxy-N,N,3-trimethylbutanamide decomposes on exposure to UV light to form nitric oxide. It is also used as a photoinitiator in the synthesis of polymers by free radical polymerization reactions. The liquid composition can be thermally treated to produce stable silver nanoparticles.

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-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

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-Bromo-4-cyclopentylbenzene (1-BCPB) is a chlorinated aromatic compound that can be synthesized by reacting 1-bromo-4-chlorobenzene and cyclopentylmagnesium bromide. The reaction sequence begins with the addition of hydrochloric acid to the first reactant, followed by magnesium chloride and ether. The mixture is heated to produce a liquid solution of ethylhexyloxy pyridine, which reacts with the second reactant in a sequence that leads to the desired product. 1-BCPB is used as an intermediate in organic synthesis. It has been shown to have moderate interaction with paraldehyde and pyridinium salts at room temperature, but it does not react with cycloalkyls or pyridinium salts at elevated temperatures.

Versatile small molecule scaffold

Versatile small molecule scaffold

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.