Building Blocks

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-Ethyl-2-ethynylbenzene is an indene that can be synthesized by the reaction of 1-ethylbenzene with ethynylmagnesium bromide and trifluoroacetyl chloride. 1-Ethyl-2-ethynylbenzene reacts as a nucleophile with electrophiles, such as phenylsulfonyl and acetylene compounds, to form sulfones and acetylenes. It can also react with tetrafluoroborates to form indenes.

Versatile small molecule scaffold

2,4-Dibromo-6-nitroaniline is a nitro compound that has been used in the production of dyes. It is also used as a component in the synthesis of other organic compounds. 2,4-Dibromo-6-nitroaniline can be produced by electrolysis of an acid solution containing radical cations and benzene. The radical cations are formed by proton transfer from the acid to the benzene, followed by electron transfer from benzene to the electrode. This process results in the formation of nitro groups on the benzene ring, which undergoes oxidation to form 2,4-dibromo-6-nitroaniline. The cyclic voltammetry shows that this process occurs via two pathways: one with a fast rate and one with a slow rate. The mechanism for this reaction is not yet known.

2-Phenyl-1,3,4-oxadiazole is a 2-phenyloxazole with an oxygen atom at the 1 position. It is a white crystalline solid that is soluble in water and has antibacterial properties. This chemical can be used as a catalyst for the synthesis of organic compounds. 2-Phenyl-1,3,4-oxadiazole reacts with nitro groups to form oxime derivatives and has been shown to inhibit the growth of fungi such as Candida albicans and Aspergillus niger. 2-Phenyl-1,3,4-oxadiazole can also be used as an antifungal agent against Trichophyton rubrum.
2-Phenyl-1,3,4-oxadiazole may be synthesized by reacting phenol with acetone in the presence of nitric acid or sulfuric acid. The structural formula for this compound is

(S)-(+)-1-Bromo-2-methylbutane is a chiral molecule with two stereoisomers, the cis and trans forms. The cis form has been observed to be the more stable of the two. It is a functional theory that these two forms are not mirror images of each other because they have different conformations. (S)-(+)-1-Bromo-2-methylbutane has been used in the synthesis of a number of important molecules. The stereoisomers can be distinguished by conformational analysis and optical microscopy. (S)-(+)-1-Bromo-2-methylbutane also has an application in biotechnology for use as a precursor for hydrazones, which are important in organic chemistry and molecular biology, such as DNA sequencing.

Versatile small molecule scaffold

Versatile small molecule scaffold

1-Propylpyrazole is a non-classical inhibitor of aldehyde oxidase that has been shown to have an inhibitory effect on pentane. 1-Propylpyrazole has peroxidase-like activity, which means it can bind to lipid hydroperoxides in the presence of hydrogen peroxide or peroxidase. It has also been shown to be an effective inhibitor of dehydrogenase, which is an enzyme that catalyzes the oxidation of aldehydes and ketones to carboxylic acids. This drug is not active against classical aldehyde oxidases such as alcohol dehydrogenase, but it does inhibit polyunsaturated fatty acid synthesis by binding with cytochrome P450 enzymes.

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

JMS-17-2 is a small molecule that was shown to have a potent and selective inhibitory effect on the production of chemokines in cancer cells. It blocks the interaction between CXCL12 and its receptor, CXCR4. This interaction is important for normal bone tissue development and function, as well as for chemotaxis and metastasis of cancer cells. JMS-17-2 has been shown to prevent tumor growth in animal models by inhibiting angiogenesis, or the formation of new blood vessels to supply nutrients to tumors. The drug also inhibits tumor growth by decreasing the number of primary tumors, reducing bone lesions, and inhibiting the progression of pancreatic cancer. Clinical trials are currently being conducted to assess the efficacy of JMS-17-2 in humans with advanced solid tumors.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-(Chloromethyl)-5-phenylisoxazole is a water soluble moiety that is used in the synthesis of conjugates with antitumor activity. 3-(Chloromethyl)-5-phenylisoxazole has been shown to inhibit the growth of brain tumors by binding to DNA, inhibiting transcription and replication. The drug also inhibits protein synthesis and cell division. This compound can be esterified and isothiazole substituted to form an antitumor drug that has a strong antiproliferative effect on human leukemia cells. The biological activity of 3-(chloromethyl)-5-phenylisoxazole can be enhanced by catalytic hydrogenation with methanol in acidic conditions.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Methyl 2-hydroxy-4-methylvalerate is an organic compound that belongs to the class of fatty acids. It is a colorless liquid with a fruity odor. Methyl 2-hydroxy-4-methylvalerate has been shown to inhibit the formation of reactive oxygen species and has antioxidant potential. It also inhibits bone resorption, which may be due to its ability to reduce levels of isobutyric acid in rats and humans. Methyl 2-hydroxy-4-methylvalerate has been found in tropical fruits such as mangoes, durians, and papayas.

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-[(Methylsulfanyl)methyl]benzoic acid is a chiral compound with a sulfur atom. It can be prepared by the reaction between methylsulfonyl chloride and benzoyl chloride in chloroform or by the reaction of methoxysulfur trifluoride with benzoic acid. 4-[(Methylsulfanyl)methyl]benzoic acid can also be synthesized by the reaction of sulfone and carboxylic acid derivatives, such as benzyl or cyano. 4-[(Methylsulfanyl)methyl]benzoic acid is used as a fungicide, insecticide, and herbicide. The substituents on this molecule are able to form bonds with other molecules to create an array of different structures. The most common substitution is for methoxy, which has a hydroxy group attached to it. This substitution is found in many different types of molecules including some drugs, hormones, vitamins,

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

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%.

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.

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.

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.