Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1,3-Diazaspiro[4.4]nonane-2,4-dione (1) is a new fungicide that was shown to have fungicidal activity in vitro against the grapevine pathogens Plasmopara viticola and Plasmopara obducens. This compound has been isolated from the plant Express erythroxylum coca (Erythroxylum coca). The compound belongs to the class of diaza spiro compounds and is a member of a family of diaza spiro compounds with antifungal activity. One possible mode of action for 1 is that it inhibits the synthesis of DNA by binding to bacterial DNA gyrase.

5-Fluoro-2-nitrobenzoyl chloride is a conformationally locked macrocyclic compound that has been synthesized by solid phase synthesis. It is found in two conformational states and can be made to switch between these two states by applying a force to the molecule. This conformation can be controlled by changing the side chain of 5-fluoro-2-nitrobenzoyl chloride, which can be done experimentally. The conformational behavior of this macrocycle was studied using molecular dynamics simulations and it was found that there are four possible conformations for the molecule. The conformations with different side chains were found to have different energies, which could be used as a measure of their relative stability.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

The Opn4 antagonist is a chemical that blocks the activity of the protein melanopsin, which is involved in regulating circadian rhythms. It has been shown to inhibit melatonin synthesis and muscle fiber contraction when applied intravitreally. These effects may be mediated by membrane channels that are activated by chloride ions. The effect of the Opn4 antagonist on photoreceptor cells is not yet known.

1-(2-Methylprop-2-en-1-yl)piperidin-4-amine is an inhibitor that blocks the activity of ion channels. It is a competitive antagonist at the NMDA receptor and has been shown to inhibit the binding of glutamate, which is a neurotransmitter involved in synaptic transmission. 1-(2-Methylprop-2-en-1-yl)piperidin-4-amine also inhibits β 2 -adrenergic receptors and has been shown to be a potent activator of G protein coupled receptors. This chemical may also be used as a research tool for studying the effects of ligands on cell biology, peptides, pharmacology, or life science. It has high purity and CAS No. 1082454-34-9.

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

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

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.

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%.

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.