Building Blocks

Versatile small molecule scaffold

1-(Benzo[d][1,3]dioxol-5-yl)thiourea is a molecule that belongs to the class of heterocycles. The molecular geometry of this compound has been calculated at the density functional theory level using the B3LYP hybrid functional. The hyperpolarizability of 1-(benzo[d][1,3]dioxol-5-yl)thiourea has been calculated by using the polarizability and frequency parameters in conjunction with the frequency spectrum. The optimum values for these parameters have been determined from an analysis of the electronic structure and density theory.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3,5-Dibromo-2-hydroxybenzonitrile is an organic compound with the formula C6H4Br2O. It is a yellow liquid that is soluble in organic solvents. 3,5-Dibromo-2-hydroxybenzonitrile can be synthesized by reacting tert-butyl nitrite with bromine and acetonitrile in a solvent. The reaction rate of this chemical reaction is rapid and the molecule has been shown to be stable when exposed to light. The hydroxyl group on the molecule makes it hydrophobic, which means it does not dissolve well in water. 3,5-Dibromo-2-hydroxybenzonitrile has a photolabile profile, meaning that it quickly decomposes when exposed to light. This chemical compound has two isomers: synopses A and B. Synopsis A has an electron configuration of 1s22s22p

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-(2-Bromophenoxy)pyridazine is a monoclonal antibody that binds to the epidermal growth factor receptor (EGFR), which is found on the surface of cancer cells. It can also be used to diagnose cervical cancer in women. The 3-(2-bromophenoxy)pyridazine was developed to find a treatment for cancers that have EGFR receptors, and it has been shown to be potent in inhibiting tumor growth in vivo. This drug binds to the EGFR with an affinity that is comparable to those of natural antibodies, and it has been shown to have no adverse effects on normal cells.
The 3-(2-bromophenoxy)pyridazine does not bind as well to some cell types, such as those from mice or rats. This may be due to the effect of the matrix on the binding process.

Versatile small molecule scaffold

3-Bromopyrrolidin-2-one is a homolytic, dehydrohalogenation thermochemical reagent that induces chemical diversity. It is synthesised from brominated and chloride compounds and has been used for the synthesis of 8-bromoadenine. The energy of the molecule is 8.1 kcal/mol, which makes it relevant in the dehydrogenation of organic compounds. 3-Bromopyrrolidin-2-one can be used as a reagent to induce chemical diversity.

Versatile small molecule scaffold

Pseudomonas aeruginosa is a Gram-negative bacterium that has been implicated in many infectious diseases. It is a multidrug resistant organism and can be difficult to treat. The mode of action of 2-heptylquinolin-4(1H)-one (2HQ) is not well understood, but it appears to inhibit the growth of P. aeruginosa by binding to copper ions. 2HQ was shown to exhibit antibacterial activity against wild-type strains of P. aeruginosa as well as mutants with reduced copper resistance. 2HQ also reduces the virulence and biofilm formation of P. aeruginosa cells and inhibits the expression of genes involved in energy metabolism, signal transduction, and chlorogenic acid biosynthesis (an endpoint for quorum sensing).

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2,3-Dihydro-5-hydroxybenzo[b]furan (2,3-DHBF) is a molecule that has been shown to have synergistic interaction with human polymorphonuclear leukocytes. This compound has also been found to inhibit the peroxidase-like activity and lipolytic enzymes of these cells. 2,3-DHBF may act as an antiinflammatory agent by inhibiting the production of inflammatory mediators. It also has antioxidant properties due to its ability to scavenge free radicals and protect against lipid peroxidation. The compound is soluble in organic solvents and can be synthesized from sulfonic acids and selenium compounds. 2,3-DHBF has also been found to have cytotoxic effects on heart tissue in rats.

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

3,5-Dimethylphenyl Isothiocyanate is a sulfur analogue that has the same molecular weight and chemical properties as 3,5-dimethylthiophenol. It is used to derivatize organic compounds with thiol groups via reactions with aliphatic, aromatic, and heterocyclic systems. The enantiomer of this compound is called S-(+)-3,5-dimethylphenyl isothiocyanate.

Versatile small molecule scaffold

3-Pyridin-4-ylaniline is a chemotherapeutic that can be used to treat cancer. It has been shown to inhibit the growth of tumors in mice with leukemia, and it inhibits the replication of human cancer cells in vitro. The chemical structure of 3-Pyridin-4-ylaniline includes a nitrogen atom connected to an aromatic ring. The nitrogen atom is also bonded to two ligands, which are pyridazine and carbonyl groups. 3-Pyridin-4-ylaniline binds to purines, a type of molecule that are found in DNA and RNA. This binding prevents the incorporation of purines into DNA and inhibits cancer cell proliferation by blocking DNA synthesis.

3,5-Dimethylpyrazole-1-carboximidamide hydrochloride is a test compound that can be used in enzyme preparations. It inhibits glyoxalase, which is an enzyme that catalyzes the reaction of glyoxal and lysine residues, preventing the formation of advanced glycation end products. 3,5-Dimethylpyrazole-1-carboximidamide hydrochloride has been shown to be a potent inhibitor of vesicular stomatitis virus (VSV) replication with high specificity for the aminoguanidine (AGA) site on VSV RNA polymerase. The mechanism for this inhibition is not fully understood; however, it is thought to involve the primary amines on 3,5-dimethylpyrazole-1-carboximidamide hydrochloride reacting with lysine residues on VSV RNA polymerase. This binding prevents amino acid activation and subsequent incorporation into the growing viral

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

N-(Pyridin-2-yl)prop-2-enamide is a synthetic compound that reacts with ethylene to form a fluorescent copolymer. It is activated by radiation and has a high quantum yield of fluorescence, which makes it useful for the detection of ethylene in the environment. N-(Pyridin-2-yl)prop-2-enamide has also been shown to have hydrophobic properties and can bind to biotin. This compound is an excellent monomer for supramolecular polymerization and can be used for the synthesis of polymers with interesting optical properties.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Methyl-4-heptanone is an antibacterial agent that has been shown to have a broad spectrum of activity against bacteria. It is a reactive molecule and can form various products during the reaction with other molecules. 3-Methyl-4-heptanone has been found to be effective against Staphylococcus, Songaricum, and other genera of bacteria. 3-Methyl-4-heptanone is a fatty acid that possesses a primary alcohol group and one or more oxygenated functional groups such as hydroxyl (-OH) or alkoxy (-OCH3). 3-Methyl-4-heptanone also possesses 16 carbon atoms, which are arranged in three rings.

Versatile small molecule scaffold

2-(4-Chlorophenyl)-4-methylpentane-2,4-diol is an analog of 2-(4-chlorophenyl)-4-methylpentane that has been shown to be a CB2 receptor agonist, which may be useful in the treatment of inflammatory bowel disease. The structure of this compound is similar to that of the natural ligand for the CB2 receptor, 2-(6′-hydroxyhexahydrocannabinol). This compound has also been shown to act as an agonist for toll-like receptor 4 (TLR4) and as a sodium citrate synthase inhibitor. This molecule can be synthesized from two molecules of acetone with a chiral catalyst by using asymmetric synthesis.

Versatile small molecule scaffold

6-Chloro-4-hydroxy-2-methylquinoline is a vasorelaxant that blocks potassium channels in the cell membrane. 6CHMQ has been shown to inhibit calcium and potassium channels, which are involved in the transmission of nerve impulses. It also inhibits glibenclamide binding to pancreatic beta cells, which is an action that contributes to the anti-diabetic effects of this drug. 6CHMQ has been shown to block voltage gated potassium channels and may have a role in regulating blood pressure by inhibiting the release of norepinephrine.

Versatile small molecule scaffold

Versatile small molecule scaffold

4-(Hydroxymethyl)oxazolidin-2-one is an activated form of oxazolidinones that can react with potassium ions to form a stable, water soluble salt. This reaction is catalyzed by lanthanum ion and the reaction mechanism involves the formation of fatty acid esters. It has been found to be effective in the synthesis of methyl palmitate, which is a fatty acid that can be used as a raw material for biodiesel production. The reaction intermediates are dehydrating and constant, and the metal ion is lanthanum. 4-(Hydroxymethyl)oxazolidin-2-one has impurities such as adiponitrile, acidic impurities, and stereoselective impurities.

2,2'-(Octylazanediyl)diethanol is a boron-containing chemical that is used to extract uranium from its ores. It is an effective complexing agent for the extraction of uranium from its ores. This chemical has been shown to be able to extract uranium from ores with a concentration of up to 0.15%. The extraction process takes place in acidic containers and is optimized by varying the reaction time and diethanolamine concentration. 2,2'-(Octylazanediyl)diethanol also inhibits ATPase activity in bacteria, which may be due to its ability to inhibit the transport function in these organisms.

Versatile small molecule scaffold

4-Nitrobutanamide is an aliphatic aldehyde that is used as a reagent in the synthesis of quinoxaline derivatives. 4-Nitrobutanamide can be synthesized by the reaction of ammonium carbonate with aliphatic aldehydes and quinoxaline. The mechanism for this reaction has been elucidated through electrospray ionization mass spectrometry. This compound is also used in the synthesis of activated ammonium amides.

Versatile small molecule scaffold

4-Hydroxyphenylbenzamide is a metabolite of biphenyl and an estrogen receptor modulator. It has been shown to inhibit the proliferation of human breast cancer cells in vitro. 4-Hydroxyphenylbenzamide binds to the estrogen receptors and inhibits the negative feedback on the hypothalamus, which leads to increased levels of luteinizing hormone and follicle stimulating hormone. This results in vasomotor symptoms such as hot flashes, night sweats, and mood swings. The drug also has effects on bone metabolism by increasing bone resorption and decreasing bone formation. 4-Hydroxyphenylbenzamide is metabolized in the liver by glucuronidation conjugates, which are excreted in feces or eliminated through urine.

Versatile small molecule scaffold

4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid is a dicarboxylic acid that can be prepared by the reaction of malonic ester and allyl alcohol in the presence of base. It is a precursor to 4-hydroxybutyric acid, which is an intermediate in the conversion of lysine to methionine. 4-(Methoxycarbonyl)bicyclo[2.2.1]heptane-1-carboxylic acid is used as a monoester and diester in the preparation of detergents and emulsifiers, as well as being used in the synthesis of pharmaceuticals and other organic compounds. The monoester form has been shown to have high yields for use with Burkholderia cepacia lipases (BCL) immobilized on silica gel, while the diesters are

Versatile small molecule scaffold

1,1-Dioxo-1,2-thiazolidin-3-one is a protease inhibitor that inhibits the activity of serine proteases. It is used to treat inflammatory diseases and cancer. 1,1-Dioxo-1,2-thiazolidin-3-one prevents the spread of cancer cells by inhibiting their ability to break down proteins that are important for cell growth and division. This drug also possesses anti-inflammatory properties. These effects may be due to its inhibition of serine proteases such as matrix metalloproteinases (MMPs) and cathepsins.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Amino-4-oxobutanoic acid is a weak organic acid that is found in the form of a white, crystalline powder. It has a molecular weight of 123.17 and a melting point of 163°C. 4-Amino-4-oxobutanoic acid is soluble in water, but not in alcohols or ethers. This compound can be classified as an amide, due to the presence of hydrogen bonds between the carbonyl group and the amino group. 4-Amino-4-oxobutanoic acid is also known as 4-[(3-chlorophenyl)amino]-4-oxobutanoic acid (CLAB).

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