Building Blocks

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

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Bromo-2-methyl-furan is a substituted quinoline. It is a synthetic reagent that can be used for the synthesis of bromofuran derivatives. The methyl group on the 3rd carbon atom in 3-bromo-2-methyl-furan is a substituent that can be exchanged with other substituents, such as alkylation, to produce a variety of products.
3-Bromo-2-methyl furan has been shown to be able to extract metal ions from their complexes and form stable complexes. This property makes it an ideal reagent for metalation reactions.

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

2-(2,6-Dimethylphenyl)ethan-1-ol is a racemic mixture of two compounds with the same molecular formula. The two enantiomers have different chemical properties and can be separated by specific techniques such as chromatography. 2-(2,6-Dimethylphenyl)ethan-1-ol is an ether that is made from methylmalonic acid and ethylene oxide. It is hydrolysed to release methylmalonyl chloride or demethylated to produce methyl ether acetate. This compound has been used in the synthesis of various esters and sesquiterpenoids.

Versatile small molecule scaffold

Versatile small molecule scaffold

Rac-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine-2-carboxylic acid is a chiral, stereospecific, cyclic sulfate that is synthetized by the reaction of glycol with lactam. It has been found to be effective against various types of cancer cells. Rac-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-phenylpyrrolidine 2 carboxylic acid is an enantiopure compound that can be used as an intermediate in the synthesis of antiinflammatory drugs such as kainic acid.

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-Cyclohexylpropane-1,3-diol is a substrate for porcine pancreatic lipase. It is hydrolyzed by this enzyme, which is stereoselective and enantioselective. 2-Cyclohexylpropane-1,3-diol also has properties that are similar to angiotensin, a peptide that is secreted by the human body. This substance can be used as a solvent for other organic compounds in chemical reactions.

Versatile small molecule scaffold

Ethyl 2-(indol-3-yl)-2-oxoacetate is a hydroxy derivative of the amino acid tyrosine. It inhibits the enzyme tyrosine hydroxylase, which catalyzes the conversion of tyrosine to L-DOPA. This in turn affects dopamine synthesis and has an inhibitory effect on rat brain. Ethyl 2-(indol-3-yl)-2-oxoacetate also inhibits methylmagnesium borohydride in vitro, which is a reagent that breaks down esters, amides, and nitriles. Tyrosine hydroxylase is inhibited by the presence of two hydroxy groups on the ethyl side chain and one hydroxy group on the indole ring. It can be used as a structural analogue for other drugs that are used to treat Parkinson's disease or depression.

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.

2,5-Dihydroxyterephthalaldehyde (2,5-DTPA) is a sugar alcohol that is used in the production of polyester. It can be synthesized by electrochemical methods and is produced as an intermediate in the synthesis of 2,5-dihydroxypentane-1,5-diyldimethanol. The optical properties and chemical stability of 2,5-DTPA are determined by its protonation state. The protonation state depends on the pH of the solution or solvent. 2,5-DTPA has two isomers: one with an intramolecular hydrogen bond and one without. 2,5-DTPA also exists as an enol form at high pH values and as a keto form at low pH values. This compound has been shown to have liver protective effects against cell death induced by oxidative stress in animal models.

Di-n-octylamine is a reactive chemical that is chemically stable in the presence of nitrogen. It is used in chemical biology as a transport agent for amines and other organic compounds. Di-n-octylamine has been shown to have optimum solubility in glycol ethers, magnesium salts, and trifluoroacetic acid. This compound reacts with fatty acids to form hydroxyl groups and can be used as an extractant for glycol ethers. The mechanism of this reaction involves intramolecular hydrogen transfer from the hydroxyl group on the fatty acid to the n-octyl amine molecule.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(2,3-Dimethylphenyl)piperazine is a piperidine derivative that has been shown to have antidepressant activity in both in vitro and in vivo studies. It acts as an antagonist at the 5-HT1A receptor and as an agonist at the 5-HT2A receptor. 1-(2,3-Dimethylphenyl)piperazine has been shown to inhibit the production of dopamine, serotonin, and citric acid by inhibiting the enzyme citrate synthase. This drug also increases the concentration of chloride ions in cells. 1-(2,3-Dimethylphenyl)piperazine is used to treat depression, anxiety disorders, and other conditions that may be related to chemical imbalances of serotonin.

6-Chloro-9-(propan-2-yl)-9H-purine is an intermediate in the synthesis of nucleoside analogues. It is obtained by the catalyzed reaction of acetonitrile and purines, which undergoes regioisomerization to form a mixture of 6-chloro-9-(propyl)- and 6-chloro-9-(butyl)purine. This intermediate can be used for the alkynylation of amino acids or peptides with alkynes. The selective formation of one regioisomer can be achieved by using a chiral catalyst or by reacting with an optically active reagent such as (+)-camphor sulfonic acid.

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

1,3-Diazaspiro[4.4]nonane-2,4-dione (1) is a new fungicide that was shown to have fungicidal activity in vitro against the grapevine pathogens Plasmopara viticola and Plasmopara obducens. This compound has been isolated from the plant Express erythroxylum coca (Erythroxylum coca). The compound belongs to the class of diaza spiro compounds and is a member of a family of diaza spiro compounds with antifungal activity. One possible mode of action for 1 is that it inhibits the synthesis of DNA by binding to bacterial DNA gyrase.

3-Acetylpyrrolidine-2,4-dione is an experimental drug that belongs to the class of metal hydroxides. It has been shown to have anti-tumor activity in vitro and in vivo against a variety of malignant tumors. 3-Acetylpyrrolidine-2,4-dione also inhibits the growth of pigweed and other plants by inhibiting the production of tenuazonic acid. This compound is a tautomeric form of tenuazonic acid, which is also known as 2,4-pentanedione. The carboxylate group on this molecule may be responsible for its herbicidal activity.

2,2,3,3,4,4-Hexafluorobutyric acid is a hydroxylated organic compound. It has been shown to be more chemically stable than other quaternary ammonium compounds. 2,2,3,3,4,4-Hexafluorobutyric acid is used as a polymerization initiator for the preparation of cationic polymers. This chemical can also be used to fragment proteins and nucleic acids in order to prepare samples for analysis by mass spectrometry. 2HFBA is reactive and can cause irritation on contact with the skin or eyes. It has been shown that this chemical may have an effect on body mass index and can bind to calcium ions.

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.

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.

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%.

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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.