Building Blocks

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

Phenylhydrazine is a white crystalline solid with a molecular weight of 150.25, and the molecular formula C6H5NHN. It is soluble in water, alcohol, ether and chloroform. Phenylhydrazine can react with an acid chloride to form a hydrazone; this reaction is used in the synthesis of some pharmaceuticals. The most common use of phenylhydrazine is as a precursor to various pharmaceuticals, such as antipyretics and anti-inflammatory agents. Phenylhydrazine reacts with zinc chloride to form 1-(5-methyl-1H-pyrazol-4-yl)ethanone.

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

1-(2-Methylphenyl)propan-2-amine is a fatty acid ester that is used as an excipient in pharmaceutical dosage forms. It is used to increase the viscosity of drug solutions and suspensions, and to provide a protective coating for tablets. 1-(2-Methylphenyl)propan-2-amine is insoluble in water, but soluble in organic solvents such as alcohols and acetone. It can be prepared by reacting a primary amine with a fatty acid chloride or anhydride. The compound has been shown to have high affinity for 5HT2A receptors in vitro, which may account for its psychoactive effects.

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

PB-22 is a synthetic cannabinoid, which can be classified as a CB1 receptor agonist. It is one of the many cannabinoids that have been created in an attempt to circumvent drug laws by creating compounds that are similar to those found in cannabis but have different chemical structures. PB-22 has shown to increase locomotor activity and stimulate the cb1 receptor in mice. Magnetic resonance spectroscopy (MRS) and assays were used to determine the binding affinity of PB-22 for the CB1 receptor. The MRS data showed that PB-22 bound with high affinity to the CB1 receptor and had a lower affinity for CB2 receptors. This suggests that PB-22 may be more potent than other synthetic cannabinoids, such as JWH-018 and CP 55,940, which bind better with CB2 receptors than CB1 receptors.
PB-22 is an analog of JWH-073 and has been shown to have a stronger effect on locomotor activity than JWH

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Iodo-2-methyl-1-nitrobenzene is a prodrug that is converted to its active form, 4-iodo-2-methylbenzenesulfonamide, by hydrolysis. It has been shown to regulate the expression of genes that are involved in the regulation of cellular proliferation and cell cycle progression. The FTIR spectrum of 4-iodo-2-methylbenzenesulfonamide shows a redshift from 1730 cm−1 to 1680 cm−1, which is indicative of the photorelease of nitrosamines. This drug has been used for the treatment of cancer, in particular for chlorambucil resistant cancers. The functional groups on this compound have been shown to be efficient for chemistry with other compounds and biomolecules.

Versatile small molecule scaffold

2-[Benzyl(methyl)ao]propanoic acid is a glycine analogue that has been synthesized and characterized. It is an α-amino acid with the chemical formula C5H11NO2. The molecule has a chiral carbon atom at the center of the propanoic acid group and contains two asymmetric carbon atoms on the benzene ring, which enable it to exist in two stereoisomers. The compound has been shown to exhibit interligand interactions with copper as well as stereoselectivity in its interactions with l-amino acids. 2-[Benzyl(methyl)ao]propanoic acid also exhibits dichroism spectra, which are unique to these types of molecules.

Versatile small molecule scaffold

Benzyne is a reactive intermediate that is formed by the tautomerization of 5-bromo-1,3-dimethylpyridin-2(1H)-one. It is an adduct between a bromine atom and a benzene ring. This compound has been shown to react with electron-rich olefins to form bicyclic compounds called diels-alder adducts. These reactions are often catalyzed by metals, such as palladium or nickel. Benzyne also reacts with triple bonds or other electron rich centers to form benzyne adducts, which are highly reactive and can be used as chemical probes for electron density in molecules.

Versatile small molecule scaffold

4-Acetylmorpholine is a recycled amide that is synthesized from an alkanolamine and an acylation reaction. It has been used in the dehydrating of organic compounds, such as reaction solution, and for the preparation of acrylamide. 4-Acetylmorpholine is also used as a viscosity control agent in the extraction of aromatic hydrocarbons. Its chemical structure consists of a carbonyl group and an aromatic hydrocarbon. 4-Acetylmorpholine can be synthesized by reacting acetaldehyde with ammonia or thiourea with methyl chloride or ethylene oxide.

Dec-9-ynoic acid is a synthetic fatty acid that is a precursor to several biologically important substances. It is labile and easily oxidized by air, light, or heat. Dec-9-ynoic acid has been shown to be a central metabolic intermediate for the biosynthesis of polyunsaturated fatty acids. It can also be converted into linolenic acid, which is an essential fatty acid that cannot be synthesized by humans. Dec-9-ynoic acid exists in two geometric isomers: cis and trans. The cis form exhibits kinetic properties that are different from the trans form. Dec-9-ynoic acid has been studied as a potential treatment for human diseases such as diabetes mellitus type 2, Parkinson's disease, Alzheimer's disease, schizophrenia, and depression.

4-Hydroxy-2-naphthoic acid is a hydrocarbon with a carboxylic acid group. It can act as an antagonist to the hydrocarbon receptor (HCR). 4-Hydroxy-2-naphthoic acid has been shown to be effective in treating colon cancer cells in vitro, and has been shown to inhibit the growth of cancer cells in vivo. This compound is also effective at inhibiting the proliferation of human colon cancer cells (Caco2) that have been exposed to benzo(a)pyrene, an aromatic hydrocarbon found in cigarette smoke. The mechanism by which this drug inhibits cell proliferation is not fully understood but may involve inhibition of cytochrome P450 1A1 (CYP1A1), which metabolizes benzo(a)pyrene into carcinogenic intermediates. 4-Hydroxy-2-naphthoic acid has also been shown to be anisotropic and microreactor, meaning

3-Fluorobenzene-1-sulfonyl fluoride is a chemical compound that can be used as a catalyst to synthesize organic compounds. It is a colorless liquid, which is soluble in water and organic solvents. This catalyst has been shown to be more efficient than the traditional catalysts, such as tetraphenylphosphonium chloride, potassium fluoride or sodium borohydride. 3-Fluorobenzene-1-sulfonyl fluoride also reacts with nitro groups to produce dinitro compounds, which are valuable synthetic intermediates for the production of dyes and pharmaceuticals. The synthesis of this compound can be carried out in high yields with stoichiometric amounts of reactants.

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-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

Versatile small molecule scaffold

5-Phenyl-1H-pyrazin-2-one is a potent inhibitor of tyrosine kinase, which is an enzyme that regulates the activity of cells by transferring phosphate groups from ATP to tyrosine residues. This drug binds to the ATP binding site, resulting in inhibition of the enzyme's activity and reduced cell proliferation. 5-Phenyl-1H-pyrazin-2-one has been shown to be effective in treating rheumatoid arthritis and other autoimmune diseases, with no adverse effects on bone metabolism or blood pressure. It also has no effect on platelet aggregation or erythrocytes.

3,5-Dichlorophthalic acid is a divalent organic acid that is used as an intermediate in the production of other chemicals. 3,5-Dichlorophthalic acid is used as a regulator of plant growth and development. It can also be used to make different n-substituted compounds, such as naphthalene, phthalic anhydride, and 2,6-dichloro-pyridine.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

(3,3,3-Trifluoroprop-1-yn-1-yl)benzene is a reaction product that can be used to inhibit the activity of metalloprotease and as an anti-cancer agent. This compound inhibits the enzyme that causes chronic kidney disease and degenerative diseases. It is a potent inhibitor of metalloprotease, which is involved in cancer progression, fatty acid synthesis and bone formation. The effective dose for this drug is between 1 and 10mg/kg body weight. It has been shown to have an asymmetric synthesis with the use of amido groups. (3,3,3-Trifluoroprop-1-yn-1-yl)benzene also has antirheumatic properties due to its ability to inhibit proteases such as matrix metalloproteinases and cathepsins.

Versatile small molecule scaffold

1,2,3,4,5-Pentachlorobenzene is a chlorinated hydrocarbon that is used in the production of pesticides and herbicides. It is an ingredient in the manufacturing of pentachlorophenol and pentachloronitrobenzene. 1,2,3,4,5-Pentachlorobenzene has been used as a chemical intermediate or solvent for the production of other chemicals. The emissions from this chemical can be harmful to humans and animals because it has been shown to affect enzyme activities at sublethal doses. It also affects rat liver microsomes and causes DNA damage that can lead to cancer.

2,2-Dibromopropane is a synthetic chemical that has been used as a precursor in the production of nylon. It is an activator that can be used to form covalent bonds with reactive groups on other molecules. The activation energy for the reaction with piperazine is between 104 and 106 kJ/mol. 2,2-Dibromopropane undergoes acylation reactions under certain conditions, forming reaction products such as 2,2-dibromoethyl acetate and 2,2-dibromoethanol. The molecular weight of 2,2-dibromopropane is 192.19 g/mol and its structural formula is CHBrCHBrCHBrCHBrC≡C≡C≡C≡C≡C≡CC(O)OH.

1-Monotetranoin is a fatty ester that is involved in the process of lipolysis, which is the breakdown of fat cells. Lipolysis occurs when an enzyme called lipase hydrolyzes triglycerides into glycerol and three fatty acids. 1-Monotetranoin has been shown to be a potent stimulator of growth factor production and cell proliferation in vivo models. It has also been shown to be effective at inhibiting angiogenic processes in vitro, including the release of growth factors from fat cells. The neutral pH optimum for 1-monotetranoin is between 7 and 8, which may be due to its hydrophobic nature.

Versatile small molecule scaffold

2-(4-Fluorophenyl)acetamide (FFAA) is a broad-spectrum antiviral drug that has been evaluated against picornavirus, enterovirus, and rhinovirus. FFAA has been shown to be effective in the treatment of acute enterovirus infections in mice. This compound was also found to have a cytopathic effect on cells infected with enteroviruses in culture. It binds to the virus's RNA-dependent RNA polymerase and prevents viral replication. FFAA is not active against influenza A or B viruses, but it is active against influenza C virus. This compound has also been found to have medicinal properties, as it can inhibit the growth of human lung cancer cells in culture and may be useful for treating cancers such as leukemia.

Benzo[d][1,2,3]thiadiazole is a benzothiadiazole with a redox potential of -0.25 V that is stable in the absence of oxygen and light. It can be used to synthesize chemical pesticides by reacting with hydrochloric acid. The reaction mechanism of benzo[d][1,2,3]thiadiazole has been determined using nuclear magnetic resonance spectroscopy and quantum chemical calculations. This compound reacts with hydrogen bond acceptors on the enzyme active site to form covalent bonds. It also interacts with the enzyme's steric environment by forming hydrogen bonds and van der Waals forces. Benzo[d][1,2,3]thiadiazole also emits light when it reacts with nitric oxide in solution.

Methyl 2-octynoate is a chemical that has been shown to bind to the nicotinic acetylcholine receptor. Methyl 2-octynoate has been shown to have antitumor activity in various types of cancer cells, including breast, prostate, and lung cancer cells. This chemical is not known to be chemically stable or film-forming. It also disrupts mitochondrial membrane potential and reduces the endpoints of oxidative phosphorylation. Methyl 2-octynoate was found to have low potency against cancer cells in vitro and in vivo.

2-Allylcyclohexanone is an unsaturated ketone that is synthesized by the ring-opening of allyl cyclohexane carboxylate with sodium hydroxide. It can be used as a chemical intermediate for the synthesis of other compounds. 2-Allylcyclohexanone can also be used to react with hydroxide solution to produce a salt and an alcohol. The hydroxide solution can act as a base, reducing the carbonyl group in the presence of an acid to form the corresponding alcohol. This reaction is stereoselective because it only occurs when there are two different groups on adjacent carbons.
2-Allylcyclohexanone has been shown to inhibit non-nucleoside reverse transcriptase inhibitors (NNRTIs) such as nevirapine, efavirenz, and delavirdine. In addition, it has been found to have functional groups that are capable of reacting

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.

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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.

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

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.