Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

Versatile small molecule scaffold

Versatile small molecule scaffold

4'-Chloro-biphenyl-2-ylamine is an organic solvent that is used in alkalization and as a reagent in chemical reactions. It has been shown to be bactericidal, with a broad spectrum of activity against Gram-positive and Gram-negative bacteria. 4'-Chloro-biphenyl-2-ylamine can be synthesized by the reaction of biphenyl with hydrogen chloride, producing an azide and chloride. The azide reacts with chloroacetic acid to produce the desired compound.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-(2-Dimethylamino-ethoxy)-phenylamine is a colorless liquid with a boiling point of 212 °C. The detection limit for this compound is 2 ppm. It has an acidity of 0.1 and can be synthesized from the reaction of two equivalents of phenol and two equivalents of ethylenediamine in the presence of conc. sulfuric acid, followed by reduction of the nitro group to an amine. This compound is used as an intermediate in the synthesis of several drugs such as amphetamine, methamphetamine, and ephedrine, as well as pharmaceuticals such as levamisole, clonidine, and mepyramine hydrochloride.
2-(2-Dimethylamino-ethoxy)-phenylamine can be detected using UV spectroscopy at wavelengths between 260 nm and 270 nm with maximum absorption at 266 nm.

4-Methoxyphenyl acetate is the product of a chloroformate reaction with an alcohol. It has been synthesized in high yield and purified by recrystallization from hexahydrate to produce a white crystalline solid. This compound is soluble in water and chloroform, and is stable at room temperature. 4-Methoxyphenyl acetate has been shown to be active against influenza virus strains Covid-19, H1N1, H3N2, PR8, H5N1, and H7N7. The mechanism of action is not fully understood but this molecule may act as a substrate for the enzyme active site of the viral polymerase complex or interfere with viral nucleic acid replication.

Versatile small molecule scaffold

2-Phenyl-5-oxazolone is a chemical compound that has been used as a starting material for the synthesis of various other organic compounds. It can be synthesized by the reaction of 2-phenylacetamide with 3-chloro-5,6-dihydrobenzoxazole. The kinetic data for this reaction are provided in the table below. Monoclonal antibodies have been used to detect and quantify 2-phenyl-5-oxazolone in human urine samples, but it is not yet known whether this compound plays any role in the development of prostate cancer cells. Caproic acid is a metabolite that is formed from 2-phenylacetamide during its conversion to 2-phenyl 5 oxazolone.

3-Methyl-5-phenyl-1,2,4-oxadiazole is an organic compound that has been synthesized from aminoacids. It is a mesoionic heterocyclic compound with the chemical formula CHNO. 3-Methyl-5-phenyl-1,2,4-oxadiazole is a dipolarophile and can be used in cycloaddition reactions with nitrosobenzene to produce nitrostyrenes. 3-Methyl-5-phenyl-1,2,4-oxadiazole can also be synthesized by using diazomethane as a reagent and a regiospecific process.

Versatile small molecule scaffold

2-Chloro-6-methoxypurine is a nucleoside that is synthesized by the enzyme nucleoside phosphorylase. It is used in an enzymatic reaction to produce 2-chloroadenine and allopurinol. The reaction requires ribose and d-arabinose as substrates, and can also be carried out at high temperatures (60°C). The bacteria E. coli can be used for the production of 2-chloro-6-methoxypurine. This product has been shown to inhibit bacterial growth in vitro when mixed with other substances such as xylosides, soluble form, and thermophilic.

1-(2-Aminophenyl)propan-1-one (1AP) is a cytotoxic agent that belongs to the class of iminoquinones. It is a synthetic compound that can be dimerized with copper(II) ions. 1AP has been shown to induce cell death in vitro by forming an imine with DNA, which results in the formation of reactive oxygen species and nitro groups. This drug also has nitro groups that are capable of binding to proteins and carbohydrates, which may contribute to its cytotoxic activity.

2,2,6,6-Tetramethylcyclohexan-1-one is a chemical compound with the molecular formula CHO. It is a colorless liquid that boils around 100°C and has a strong odor. 2,2,6,6-Tetramethylcyclohexan-1-one can be used in the dehydrogenation of alicyclic compounds to form alkenes. The reaction proceeds by attack of the intermediate on the double bond and elimination of two hydrogen atoms from an adjacent methyl group. In this process, one molecule of water is also produced. This reaction mechanism can be postulated for homologues as well.

Versatile small molecule scaffold

Cyclopentylurea is an inhibitor of the NS3 protease, which is an enzyme that plays a key role in the replication of the hepatitis C virus. Cyclopentylurea binds to the active site of this enzyme and blocks its activity. This inhibition prevents the production of new viral particles and can help treat chronic hepatitis C. Cyclopentylurea has also been shown to have anti-cancer effects, as it inhibits protein synthesis in tumour cells and induces their apoptosis.

4-Cyano-1-methylpyridin-1-ium iodide is a yellow solid that is insoluble in water and methanol. It has anions, which are negatively charged ions, such as chlorides and cations. The cation has a positive charge, while the anion has a negative charge. This chemical also crystallizes in different crystal structures and hydrogen bonds with other molecules in the crystal lattice.

2-Propylcyclopentan-1-one is a hydrolysate from the reaction of cyclopentanone and ethylene glycol, or with formaldehyde and water. It has been used for the synthesis of liquid crystals, which are composed of molecules that align parallel to each other in response to an applied electric field. 2-Propylcyclopentan-1-one is also used as a heat resistant crystal compound, and has been shown to be effective in the polymerization initiator reactions. The molecule contains a carbonyl group, which can be hydrogenated to produce saturated fatty acids. This chemical also reacts with fluorine at high temperatures, producing high kinetic energy.

3-Methylcyclobutan-1-one is a monoterpene that is used for the production of butenes, benzene, and aspartyl. It can be photolyzed or activated with radiation to form a cyclobutane ring. The three possible stereoisomers are in an equal ratio when 3-methylcyclobutan-1-one is synthesized from cyclopropanecarboxylic acid. There are many modifications that can be done to this molecule such as oxidation, reduction, and hydrogenation. The yields of product are dependent on the type of modification used.

N-(2-Chloroacetyl)alanine is a chloroacetic acid derivative that inhibits the enzyme activity of acetylcholinesterase. It has been shown to be more potent than other reversible inhibitors of this enzyme, such as clorgyline and pyridostigmine. N-(2-Chloroacetyl)alanine binds to the active site of acetylcholinesterase, causing denaturation and inactivation of the enzyme by irreversible inhibition. The binding constant for N-(2-chloroacetyl)alanine is 2.5 x 10 M. This irreversible inhibitor also causes a conformational change in the active site of acetylcholinesterase that increases the affinity for chloride ions. The optimum temperature for this reaction is between 25 and 30 degrees Celsius. Zinc ions may also increase the potency of N-(2-chloroacetyl)alanine by increasing its binding affinity to chloride ions at low concentrations

O,O,S-Triethyl phosphorothioate is a pesticide that inhibits the growth of insects by binding to the active site of the enzyme acetylcholinesterase. It is used in agriculture as a synergist with piperonyl butoxide (PBO) for protection against pests such as termites and cockroaches. Triethyl phosphorothioate has been shown to cause lung damage in rats when given at high doses. The relevance of this finding to humans is not clear. It may be due to its ability to generate reactive oxygen species and lipid peroxidation products in tissues. This effect can be prevented by giving animals PBO pre-treatment or by using lower doses of triethanolamine phosphorothioate.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Diethyl 1,1-cyclohexanedicarboxylate is an ester that can be hydrolyzed by alkaline conditions. It can be used as a solvent and as a raw material in the production of other chemicals. Diethyl 1,1-cyclohexanedicarboxylate is more soluble in water than diethyl ether and diethylene glycol. The cyclohexane ring helps to prevent the formation of peroxides when exposed to air. This product is mainly used as a solvent for lacquer thinners, paints, varnishes, and resins.

Versatile small molecule scaffold

3,5-Di-tert-butylphenol is a reactive compound that has been used as an analytical control agent. It has been shown to have an absorption maximum at 230 nm and a strong absorption band in the ultraviolet region of the spectrum. 3,5-Di-tert-butylphenol is also known to have a high uptake capacity for citric acid and sodium carbonate in uptake assays. The hydrogen bond between 3,5-Di-tert-butylphenol and p-hydroxybenzoic acid is intramolecular and can be broken by heating with acetate extract. This compound has been shown to be toxic in Sprague Dawley rats. 3,5-Di-tert-butylphenol undergoes activation energies of 2.6 kcal/mol (1) and 10 kcal/mol (2).

Versatile small molecule scaffold

N,N-Dimethyl-4-(pyridin-4-yl)aniline is an antimicrobial agent that belongs to the group of diazotization agents. It is used as a precursor for the synthesis of various diazonium salts. N,N-Dimethyl-4-(pyridin-4-yl)aniline is also used in the production of dyes and pharmaceuticals. It has been shown to be active against many types of bacteria, including luteum cultures and some strains of Staphylococcus aureus. The mechanism of action is not fully understood but it may be due to its ability to hydrolyze chloride or nitrate. N,N-Dimethyl-4-(pyridin-4-yl)aniline can also be converted into intermediates for the synthesis of other chemicals such as diazonium salts, which are useful for producing synthetic rubber and other products.

Versatile small molecule scaffold

4-Propoxybenzene-1-sulfonamide is a phosphodiesterase inhibitor that blocks the breakdown of cyclic guanosine monophosphate (cGMP), which regulates smooth muscle relaxation. It is used for the treatment of symptoms of benign prostatic hyperplasia, such as difficulty in urination and urinary retention. 4-Propoxybenzene-1-sulfonamide has been shown to inhibit phosphodiesterase type 5, an enzyme that breaks down cGMP in the prostate gland and bladder neck. This action leads to an increase in cGMP levels, which causes the smooth muscle cells in these areas to relax. The hydration state of 4-propoxybenzene-1-sulfonamide can be changed by adding water or alcohol (e.g., ethanol). The hydration state affects the solvation of 4-propoxybenzene-1sulfonamide and its ability to enter cells

1-Benzyl-3,5-dimethyl-1H-pyrazole is a potent inhibitory drug that inhibits the hyperpolarization activated cyclic nucleotide gated ion channels. It has been shown to suppress the cardiac action potential and decrease heart rate in animal models. 1-Benzyl-3,5-dimethyl-1H-pyrazole has also been shown to have an inhibitory effect on pyrazoles, which are important mediators of pain and inflammation. The drug has been shown to be useful in the treatment of diseases such as pectoris and shift work disorder. This compound is a competitive inhibitor of the enzyme adenosine triphosphate (ATP) phosphohydrolase and has been used as a substrate for assay of this enzyme.

Versatile small molecule scaffold

Versatile small molecule scaffold

Phenylsuccinic anhydride is a reactive, receptor binding, expressed, polycarboxylic acid that has nitrogen atoms. It can be used as an anticancer agent and has shown anticancer activity against α7 nicotinic acetylcholine receptors in the central nervous system. Phenylsuccinic anhydride is also used for the preparation of fluorinated anhydrides for use in nonaqueous solvents.

(3-Methylbutoxy)benzene is a cyclic monomer that can be used in the production of polyester plastics. It has been shown to polymerize with isopentyl by means of an initiator. This reaction system produces a polymerized polymer. The phenyl group in this molecule has been shown to interact with eugenol through transition-state profile and reaction system studies, as well as polymerization reactions with benzene. The fluorescent properties of this compound make it suitable for use in fluorescent labelling of proteins and DNA.

Versatile small molecule scaffold

Versatile small molecule scaffold

Pteridine-2,4-diamine is a peroxide that is found in nature. It has been shown to have an inhibitory effect on mutant enzymes that are involved in the production of hydrogen peroxide. Pteridine-2,4-diamine binds to a ligand and prevents it from reacting with hydrogen peroxide. This compound is used as a surfactant in pharmaceutical preparations. It also has an inhibitory effect on soybean lipoxygenase, which may be due to its ability to bind to the phosphonium salt at the active site and prevent the catalytic reaction with hydrogen peroxide.

1-(Quinolin-2-yl)ethanone is an inhibitor of proteolytic enzymes. It is a triazolopyrimidine that binds to the active site of proteases, thereby inhibiting their activity. 1-(Quinolin-2-yl)ethanone has been shown to be effective against viruses such as herpes simplex virus and Streptococcus faecalis, and bacterial infections such as streptococcus faecalis and Staphylococcus aureus. 1-(Quinolin-2-yl)ethanone also inhibits the production of matrix metalloproteinases, which play an important role in tumor development, by binding to the zinc ion in the enzyme's active site. This compound can also be used synergistically with copper chloride or hydrochloric acid to inhibit protease activity.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Ethoxy-1H-indole is a synthetic, nucleophilic compound that has been shown to be an effective hydrogenation catalyst. The biological properties of 2-ethoxy-1H-indole have been studied in both animals and humans. In rats, this compound has shown to be an effective analgesic and antiinflammatory agent with few side effects. 2-Ethoxy-1H-indole also has shown efficacy in the treatment of Parkinson's disease in animal models. This drug can be used as a precursor for a variety of compounds including carboximidamides, enecarbamates, amines, or sulfoxides. It is also possible to control the stereocontrol of 2-ethoxy-1H-indole by using chiral reagents or by converting it to its chiral counterpart (2-(2'-ethoxy)-1H-indole).

5-Methyl-3-phenyl-1,2-oxazole is a synthetic molecule that is postulated to be an isoxazole derivative. It has been shown to react with sodium chloride in the presence of organic solvents and hydrogen chloride to form a fluorinated salt. The reaction yield for this process was found to be low, however, the product was obtained in high purity. When irradiated or heated, 5-methyl-3-phenyl-1,2-oxazole undergoes thermal isomerization to form 3-(difluoromethyl)-5-(methyl)isoxazole.