Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1,2-Difluoro-4,5-dinitrobenzene is a nitro compound that has been used extensively in supramolecular chemistry. The cavity of the molecule is able to bind with fatty esters and other molecules with lipophilic properties. This property can be exploited for the encapsulation of biomolecules and other organic compounds. 1,2-Difluoro-4,5-dinitrobenzene has also been found to be reactive towards carboxylic acid groups at room temperature and higher temperatures. The nature of this molecule is reactive as it reacts with carbodiimides to form cyclic urea derivatives.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Methyl 2,5-dimethoxybenzoate is a molecule with a molecular weight of 180.2 g/mol. It can be synthesized by reacting methyl acetate with dimethoxybenzene in the presence of hydrochloric acid and warming the reaction mixture to 80°C. This compound has been shown to have an interaction with diphenyl ethers, proton magnetic resonance, and fluorescence spectroscopy. Methyl 2,5-dimethoxybenzoate has also been found to bind metal ions such as copper(II) and zinc(II). The carboxyl group on this molecule is responsible for coordination of these metals. Mass spectrometric analysis has revealed that Methyl 2,5-dimethoxybenzoate has a mass of 180.2 g/mol.

Versatile small molecule scaffold

2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-one is a cytotoxic drug that belongs to the class of aryloxy compounds and has been shown to have antileishmanial activity. It was found to inhibit the growth of Leishmania parasites in vitro and in vivo. In addition, 2-(pyrrolidin-1-ylmethyl)cyclohexan-1-one has been shown to have anti-inflammatory properties, which is due to its ability to suppress prostaglandin synthesis.

7-Boc-3,7-diazabicyclo[4.2.0]octane

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1-(Pyridin-4-yl)-1H-pyrazole-4-carboxylic acid

Chroman-6-ylboronic acid

Versatile small molecule scaffold

(2-Chloro-thiazol-5-ylmethyl)-methyl-amine

3-Phenylpiperidin-4-one hydrochloride

3-Amino-4-methyl-pyridazine is a pyridazine molecule that has analgesic properties. This drug is used in population studies to investigate the effects of nitrogen atom substitution on the pharmacological activity of carrageenans and betaines. 3-Amino-4-methyl-pyridazine has been shown to be an analog of cinnoline, which is a member of the quinone class of compounds. The crystal structure and diffraction techniques have been determined for 3-aminopyridine using single crystal x-ray diffraction. The structure was determined by a molecular replacement method with a difference in formula weight of 0.01%.

4-bromo-1-(2-methoxyethyl)-1H-pyrazole is a potent and selective inhibitor of the enzyme tyrosine hydroxylase. It binds to the active site of the enzyme and inhibits its function, thereby reducing dopamine production and preventing the development of Parkinson's disease. The positioning and simulations were conducted using molecular dynamics techniques to determine the most probable binding site for this compound. The energy efficiency was calculated by comparing the free energy of activation for 4-bromo-1-(2-methoxyethyl)-1H-pyrazole with that of other inhibitors. Mathematical models have been developed to simulate how these inhibitors are able to bind to tyrosine hydroxylase in order to inhibit dopamine production. This has led to a better understanding of dyskinesia, which is a symptom of Parkinson's disease, and methods for controlling it. The profile and trajectory data were collected from an autonomous underwater vehicle (AUV)

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Methoxy-2-quinolinecarboxylic acid is a compound that contains a phenyl ring with two substituents, one of which is a methoxy group. It has been shown to regenerate primary alcohols from the corresponding hydroxyaldehyde under mild conditions. 4-Methoxy-2-quinolinecarboxylic acid also reacts with aldehydes to form an oxime and an acetal in the presence of base. The functional theory proposes that the molecular orbitals are formed by the overlap of atomic orbitals and may be used to explain reactions such as these. The neurotoxic effect of 4-methoxy-2-quinolinecarboxylic acid has been observed in rats after intraperitoneal injection. This compound also has been shown to catalyze the formation of bidentate ligands and chelate ligands.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-[(Pyridin-3-yl)oxy]benzaldehyde

Versatile small molecule scaffold

Versatile small molecule scaffold

N-(4-Propoxyphenyl)acetamide is a crystalline solid that has the chemical formula C8H11NO2. This compound belongs to the group of hydrogen bond coplanar molecules. It has a molecular weight of 153.19 and a melting point of 209 degrees Celsius. Its crystal structure is monoclinic with chains that are parallel to each other and have an angle of 90 degrees, with four propoxyphenyl groups at one end and one acetamide group at the other end.

(R)-Piperazin-2-ylmethanol dihydrochloride

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

5,6-Dihydro-4h-pyran-2-carbonitrile