Building Blocks

Versatile small molecule scaffold

3,5-Di-tert-butyl-1H-pyrazole is a molecule that has two phenyl groups and one hydrogen bond. It is used as a reagent in analytical chemistry for the determination of hydrochloric acid and in crystallography for the study of x-ray crystal structures. 3,5-Di-tert-butyl-1H-pyrazole has been shown to have x-ray crystal structures with four nitrogens and one proton. The molecule also has a pyrazole ring at the center that contains one hydroxy group and two phenyl groups. The molecular weight of 3,5-Di-tert-butyl-1H-pyrazole is 152.2 g/mol.

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

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

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

Boceprevir is a non-peptide small molecule that prevents the hepatitis C virus from replicating by inhibiting the NS3/4A serine protease. It has been shown to be active against both genotype 1 and 4 of the hepatitis C virus in vitro. Boceprevir is used to treat chronic hepatitis C in adults who have not been previously treated or who are treatment-experienced with compensated liver disease. The drug is given as a tablet, taken once daily, with or without food. Side effects include nausea, vomiting, diarrhea, headache, dizziness, insomnia, and rash. Boceprevir can also cause birth defects if taken during pregnancy so it should not be used by women who are pregnant or planning to become pregnant during treatment.

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

4-Butoxybenzenesulfonyl Chloride is an inhibitor of pancreatic lipase, which is a digestive enzyme that hydrolyzes triglycerides and phospholipids. 4-Butoxybenzenesulfonyl Chloride has been shown to inhibit the synthesis of triglycerides and cholesterol from dietary lipids in rats. It also inhibits the activity of esterases, which are enzymes that catalyze the hydrolysis of esters, leading to a decrease in the concentration of plasma lipids. This drug also lowers triglyceride levels in human plasma and intestinal cells in culture.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

7-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)heptanoic acid is an intramolecularly acting phthalimide that has been shown to inhibit the production of prostaglandin E2. This compound is a macrocyclic indole derivative and has been shown to be effective in the treatment of inflammatory conditions such as Crohn's disease. 7-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)heptanoic acid inhibits the enzyme cyclooxygenase II (COXII), which reduces inflammation by blocking the production of prostaglandins.

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

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

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.

3,3-Dimethylcyclobutan-1-one is a molecule that has been shown to be a sensitizer of ethylene in the presence of activated oxygen. The kinetics of this reaction were studied by determining the rate constant for the formation of 3,3-dimethylcyclobutan-1-one at various temperatures. This compound is an analog to cyclobutanone and can be synthesized by photolytic or reductive elimination. The nature of the substituents on the ring affects the bond cleavage and product yields during these reactions. 3,3-Dimethylcyclobutan-1-one has been used as a radiation sensitizer for polymers, although this application is limited because it reacts with oxygen. In addition, 3,3-dimethylcyclobutan-1-one can be used to produce isobutene by coupling with acetylene.

4,5-Dimethyl-1H-imidazole-2-thiol is a potential drug candidate for cancer therapy. It is an insulin-like growth factor (IGF) inhibitor that can be used to treat cancer. 4,5-Dimethyl-1H-imidazole-2-thiol has the ability to inhibit IGF receptors and reduce cell proliferation in tumor cells. This compound also has the ability to inhibit tyrosine kinase activity and disrupt IGF receptor autophosphorylation. The isoquinolinedione derivative of 4,5-dimethyl 1H imidazole 2 thiol has been shown to have increased potency as an inhibitor of IGF receptors and tyrosine kinase activity in vitro.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

Versatile small molecule scaffold

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.

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.

1-Methyleneindane is a peroxide that has been synthesized to study the mechanistic aspects of hydrogen peroxide as a reactant in Wittig reactions. This molecule also serves as an intermediate in synthesizing phosphonium salts, which have been shown to have potential applications in perfluorinated and alcohol chemistry. The 1-methyleneindane skeleton is made up of two carbonyl groups and an interaction between the singlet state and the carbonyl group can be observed.

Pyrazolo[1,5-a]pyrimidin-7-amine is a synthetic compound that was derived from the natural product pyrazolopyrimidine. It has been shown to be an effective inhibitor of growth in human liver cancer cells and in virus replication. Pyrazolo[1,5-a]pyrimidin-7-amine also inhibits the growth of human liver cancer cells by binding to the factor receptor, which is involved in platelet-derived growth. This drug inhibits the production of platelet-derived growth factor (PDGF) by binding to the PDGF receptor on cells. Pyrazolo[1,5-a]pyrimidin-7-amine does not inhibit cell proliferation but rather induces cell death by apoptosis in Mcf-7 human breast cancer cells.

2-Chloro-6-methylbenzaldehyde is a byproduct of the oxidation of metalloporphyrins. It is an organic compound that has nucleophilic properties and can react with chloride to form sulfoxide. 2-Chloro-6-methylbenzaldehyde can also react with magnesium to form a dihedral molecule, which is an isomer of 2-chloro-6-fluorobenzaldehyde. The nature of this chemical has not yet been determined, but it is known that it reacts with peroxide to produce silicon dioxide.

2,6-Dichloronitrosobenzene is a solvent that is used in the production of textiles and plastics. It can be found as an impurity in solvents such as azobenzene, amines, and nitrosobenzene. 2,6-Dichloronitrosobenzene has been shown to have mutagenic activities and can cause mutations at the base pairs of DNA through mechanisms including oxidative stress and adduct formation with nucleobases. The uptake of this substance by cells may cause cell death due to its high reactivity with cellular components such as proteins and lipids. 2,6-Dichloronitrosobenzene also has a strong pyrylium ionization potential that causes it to form free radicals. 2,6-Dichloronitrosobenzene has been shown to induce cancer in animal models through the activation of carcinogenicity pathways such as p

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole is an acylation agent that belongs to the group of c3-10 cycloalkyl derivs. It is a colorless, crystalline compound with a strong odor and a melting point of 171°C. 3-Methyl-5-(trichloromethyl)-1,2,4-oxadiazole can be used as an acylating agent for polymers. This chemical has been shown to cause erethism in humans and animals.

Versatile small molecule scaffold

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

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-Tetramethyloxan-4-one is a reactive compound that is sensitive to light. It has been used as a probe for the detection of hydrogen peroxide in microscopy and fluorescence. 2,2,6,6-Tetramethyloxan-4-one is also used as a fluorophore in research. The potential use of this compound includes the detection of peroxide in transfer reactions or benzoic anhydride in functional theory studies.

2-Phenylcyclopentan-1-one is a compound with the molecular formula C10H12O. It can exist as two stereoisomers, which are mirror images of one another. The two isomers can be distinguished by their different melting points and by the difference in their infrared spectra. This compound belongs to a class of compounds called cyanoalkyls, which contain an alkyl group that is bonded to a cyanide group. 2-Phenylcyclopentan-1-one has been used as a probe for labeling chiral centers in biological systems. This probe is also useful for studying kinetic and photochemical reactions involving chiral molecules, such as catalysis and ionization by light.

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.

Versatile small molecule scaffold

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.