Building Blocks

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.

Ethyl 2-(propan-2-yloxy)acetate is a high concentration organometallic compound that is an active substance. The organometallic compound consists of a magnesium atom, an aliphatic hydrocarbon group, and a polyolefin. It has been shown to have a blood pressure lowering effect in rats. Ethyl 2-(propan-2-yloxy)acetate is an ester compound that acts as an intermediate in the production of other substances with therapeutic properties.

1,2-Diethylbenzene is a trifluoroacetic acid derivative that is used as an acylation agent and a solid catalyst. 1,2-Diethylbenzene has been shown to increase the energy metabolism in cultured human cells. It also influences fatty acid synthesis and nmr spectra of plant families. 1,2-Diethylbenzene was found to be safe for use in sciatic nerve regeneration in Sprague-Dawley rats with axonopathy. This chemical can also be used as an analytical reagent for the separation of urine samples by liquid chromatography methods.

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

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'-(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

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-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.

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.

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Versatile small molecule scaffold

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.