Building Blocks

Cyclopropyl(3,4-dimethylphenyl)methanone (CPM) is a synthetic cannabinoid that has been shown to have similar effects to the natural cannabinoids found in cannabis. CPM binds to and activates the CB2 receptor, which is found on cells of the immune system, brain, and other organs. It has been studied for its ability to reduce glioma tumor growth in mice by inhibiting glutamate release. The molecular modeling study showed that CPM binds to the receptor with a geometry similar to other CB2 agonists like JWH-133. In addition, CPM inhibits locomotor activity in rats and has been shown to produce some symptoms of anxiety in mice. A receptor knockout study with mice showed that CPM can bind to CB2 receptors without activating them. X-ray diffraction data indicated that CPM is an achiral molecule with an idealized molecular geometry of "s".

2-Methylsulfonylthiophene is a modulating agent that can inhibit the activity of carbonic anhydrase, adenosine receptors and 5-membered heteroaryl. It has been shown to have affinity for CB1 receptor antagonists and is used to treat cardiovascular diseases. 2-Methylsulfonylthiophene also inhibits the enzymatic activity of anhydrase in the eye, which leads to suppression of intraocular pressure (IOP). The drug also has anti-glaucoma effects by reducing the production of aqueous humour. 2-Methylsulfonylthiophene is used as a dyestuff intermediate and as an organic solvent.

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

Methyl 2-hydroxy-4-methylvalerate is an organic compound that belongs to the class of fatty acids. It is a colorless liquid with a fruity odor. Methyl 2-hydroxy-4-methylvalerate has been shown to inhibit the formation of reactive oxygen species and has antioxidant potential. It also inhibits bone resorption, which may be due to its ability to reduce levels of isobutyric acid in rats and humans. Methyl 2-hydroxy-4-methylvalerate has been found in tropical fruits such as mangoes, durians, and papayas.

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

1-Bromo-2-(methoxymethyl)benzene is a boronic acid that is used in the synthesis of palladium complexes. It is synthesized by reacting 1-bromobenzene with methanol and methoxymethyl chloride. The 1-bromo-2-(methoxymethyl)benzene has been used as a ligand for palladium complexes, which are often used to catalyze organic reactions, such as the metathesis reaction. Synthetic methods have been developed to produce the compound and NMR spectra have been obtained to provide kinetic data on these reactions.

2-Bromobenzaldoxime is a biologically active molecule that has been shown to have significant physiological activities. It is an aldehyde, which is metabolized by the liver or kidneys into the corresponding alcohol, 2-bromoethanol. 2-Bromobenzaldoxime has been shown to be synthesized from diethyl ether and potassium phosphate in the presence of amino acids. The reaction proceeds with dehydration of the intermediate bromohydrin to form an aldoxime. This molecule can be used as a pharmaceutical drug for various diseases such as diabetes mellitus, hypertension, and inflammation.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

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.

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.

Versatile small molecule scaffold

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.

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

Ethyl 1-amino-1-cyclobutanecarboxylate monohydrochloride is a cyclic carbonyl compound that is used as a building block in organic synthesis. It has been used to synthesize a number of natural products, such as piperarborenine and cyclobutanes. This compound can be synthesized by reacting ethyl chloroformate with cyclobutanecarbaldehyde in the presence of an acid or base catalyst. The steric and geometric properties of this molecule are highlighted below.

Versatile small molecule scaffold

2-Cyclopentyloxy-benzaldehyde has potent inhibitory activity against inflammatory diseases. It is a chemical compound that contains an amido group and two cyclopentyloxy groups. 2-Cyclopentyloxy-benzaldehyde inhibits the activation of glycogen synthase kinase-3, which is a protein that regulates inflammation in the body. This substance can be used to inhibit the spread of HIV or viral infections by inhibiting protein synthesis in these viruses. 2-Cyclopentyloxy-benzaldehyde also has an inhibitory effect on cachexia, which is a condition characterized by weight loss, muscle wasting, and fatigue.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-[(3,5-Dimethylphenyl)formamido]acetic acid is a compound with diverse applications and characteristics. It is a diphenyl ether that can be used as an electrode material in various electronic devices. Additionally, it has cholinergic properties, meaning it affects the neurotransmitter acetylcholine in the nervous system.

Versatile small molecule scaffold

Versatile small molecule scaffold

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%.

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.

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.