Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Methylbenzofuran-2-carboxylic acid ethyl ester (MBFE) is a modulator that inhibits the activity of the mcf-7 protein, which is involved in metabolic disorders. MBFE also has activating effects on insulin sensitivity and carbonic anhydrase. This compound has been shown to inhibit the growth of cancer cells in culture, as well as reduce cholesterol levels when administered orally. MBFE may also be used to introduce a mitochondrial biogenesis factor into cancer cells, preventing tumor formation.

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

8-Methyl-7H-purin-6-amine is a chemical with a molecular weight of 194.2 and a boiling point of 248 °C. It has no color or odor, but it is corrosive in nature. Vapor pressure is 0.0013 mm Hg at 25 °C, acid hydrolysis produces an amide, catalase is unreactive to this compound, and 8-methyl-7H-purin-6-amine does not react with nucleobases under incubated conditions. 8MMP does not form sulfoxide derivatives and is unreactive to alkaline hydrolysis. This compound may be carcinogenic to humans and laboratory studies have shown that benzyl alcohol increases the rate of absorption of 8MMP when ingested orally by rats. Purines are found in RNA and DNA molecules and are essential for life.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Dimethyl 2-(methoxymethylene)malonate is a synthetic molecule that belongs to the class of organic compounds known as dialkylamino malonic esters. It has been shown to inhibit HIV integrase, an enzyme that is essential for HIV replication. Dimethyl 2-(methoxymethylene)malonate was synthesized in two steps from diethyl malonate and methoxyamine hydrochloride. The first step involved the reaction of diethyl malonate with methoxyamine hydrochloride in the presence of nitrobenzene to produce dimethyldiethoxymethoxymethoxymalonic acid methyl ester. The second step involved reacting this product with trimethylamine in the presence of potassium carbonate to produce dimethyl 2-(methoxymethylene)malonate.

Versatile small molecule scaffold

2-Benzyl-4-chloropyrimidine is a heterocyclic compound that can be synthesized in three steps from potassium. The reaction pathway starts with the addition of chloroacetic acid to pyrimidine-2,4(1H,3H)-dione and then the intermediate 2-benzylpyrimidine is formed by nucleophilic substitution with an amide. Finally, halogenation of the benzyl group forms 2-benzyl-4-chloropyrimidine. This transformation is due to the fact that pyrimidines are nucleophiles, and chloroacetate is a good leaving group. The substituent on the 4 position of the pyrimidine ring determines whether it will be an amide or a halogenated product.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Cyano-3-methylbutanoic acid is a solid with an acidic or basic group. It can be obtained by catalytic reduction of isovaleric acid and has been used to synthesize silicone grafts. 2-Cyano-3-methylbutanoic acid has also shown anticancer activity in a number of animal models, including those for solid tumours. In addition, this compound is conjugated with various drugs and functions as a polymer drug that can be degraded in the body. END>

2-Cyano-2,2-dimethylacetic acid (CDMA) is an analog of methylethylcarboxylic acid, which is the precursor for the synthesis of 2-chloro-2,2-dimethylpropionic acid (CDMP). CDMA has been used in the preparation of chromanones and other analogs. It also has a temporary hydroxyl group that can be methylated to form aldehydes or amides. The chloride group can be replaced with dialkylaminocarboxylates, such as dimethoxybenzene or methoxy.

Benzyl 5-nitrofuran-2-carboxylate is a catalytic hydrogenolysis agent that can be used to reduce fluoride. It is prepared by the reaction of benzyl chloride with nitrofuran-2-carboxylic acid in the presence of tetraphenylphosphonium and sulfolane. The catalyst, tetraphenylphosphonium, has been shown to increase the yield of benzyl 5-nitrofuran-2-carboxylate. Benzyl 5-nitrofuran-2-carboxylate is mainly used for the synthesis of dimethoxybenzene from dimethylphenol and has also been used as a catalyst for the hydrogenation of ethylene oxide.

Spiro[2.5]octan-6-ol is a substrate for the enzyme spiroketal synthase. The enzyme binds to its substrate at one of two active sites and converts it into a spiroketal product. Spiro[2.5]octan-6-ol is converted by the enzyme in an ATP-dependent reaction that requires proton transfer and conformational changes in the enzyme, as shown by magnetic resonance spectroscopy measurements. The enzyme also catalyzes the reverse reaction, converting the spiroketal product back into the original substrate. The reaction mechanism involves a proton transfer between water and an amino acid residue in the active site of the enzyme, followed by nucleophilic attack on an adjacent carbonyl group of the substrate. This results in formation of a tetrahedral intermediate which then collapses to form either products or reactant depending on whether it was formed from reactant or product respectively.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Bromocyclohexan-1-one is a dicarbonyl compound with a cyclohexane ring. It is used as an intermediate in the synthesis of other chemicals, such as dibromobenzene and monomers. This chemical has been shown to have anti-tumor activity against colon cancer cells in vitro and in vivo. 4-Bromocyclohexan-1-one has been shown to bind to DNA, inhibiting DNA synthesis and RNA synthesis. 4-Bromocyclohexan-1-one also inhibits the growth of human tumor cells in culture. The chemical is biodegradable, which limits its toxicity to the environment.

2-bromo-1-methoxypropane (BMP) is a molecule that inhibits the activity of the enzyme cytochrome P450. It has high solubility and permeability, which makes it suitable for oral administration. BMP is metabolized by esterases and glucuronidases to produce 2-bromo-1-hydroxypropane, which is more soluble in water than 2-bromo-1-methoxypropane. This drug has been shown to be orally bioavailable when administered in rats and monkeys. BMP also has a low molecular weight, which facilitates its passage across cellular membranes. The metabolic stability of BMP has been optimized to increase its bioavailability.

(2-Methyl-5-nitrophenyl)methanol is an ionic, synthetic and diaxial analog that summarizes the diversity of ketones, nitro compounds and dopamine. It has been synthesized from 2-methylphenol and nitric acid in one step. This compound has been found to be a precursor for the biosynthesis of natural products such as dobutamine, dopamine and nitric oxide. The rearrangement of this compound leads to the formation of an aromatic ring with a nitrogen atom at its center. The synthesis of this compound is summarized in Figure 1.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold