Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Methoxythiophene-2-carbaldehyde is a ligand that has been shown to form a stable complex with potassium chloride. This compound is also reactive, and can be stabilized in the reaction vessel. In the presence of sulfate ions, 3-methoxythiophene-2-carbaldehyde will react to form a phosphotungstic acid precipitate. The dehydrated salt can be recrystallized by adding phosphotungstic acid, which stabilizes the product.

Versatile small molecule scaffold

1-Bromo-4-iodobenzene is an aryl halide that can be synthesized by the cross coupling of ethyl formate and hydrochloric acid. This compound is useful in analytical applications, such as chromatographic methods, due to its high solubility in organic solvents. It is also used in synthetic procedures for the preparation of other aryl halides. 1-Bromo-4-iodobenzene has been used to synthesize calcium carbonate via the Suzuki coupling reaction with sodium salts, which are nucleophiles. The carbonyl group on this molecule reacts with the nucleophile, forming an alkyl group and a metal salt. Transfer reactions involving these salts can produce other products with different functional groups.

Versatile small molecule scaffold

Methyl trans-4-bromo-2-butenoate is a synthetic compound that contains a hydroxyl group and two bromine atoms. It is synthesized by the reaction of diethyl succinate, hydrogen, and piperazine in an aqueous solution. Methyl trans-4-bromo-2-butenoate has been shown to have antineoplastic activity in combination with epidermal growth factor (EGF) and carbohydrate conjugates. It also binds to cell surface receptors on the epidermal cells, inhibiting their growth. The structural formula of methyl trans-4-bromo-2-butenoate can be seen below: [[File:Methyltrans4bromobutanoate.png|thumb|300px|left|The structural formula of methyl trans-[4] -[bromo]-[2] -butenoate.]]

Versatile small molecule scaffold

Isocytosine is a prodrug that has been synthesized with the intramolecular hydrogen on the nitrogen atoms, which makes it more chemically stable. Isocytosine is a reactive molecule, and can react with tautomers to form isocytosine derivatives. Isocytosine contains three hydrogen atoms that are transferable through reactions to other molecules. The chemical stability of isocytosine allows for its use in wastewater treatment. It also has metabolic effects, such as the inhibition of colorectal adenocarcinoma and metabolic disorders. Isocytosine can be used as a model system for studying transfer reactions and reaction mechanisms.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Methyl-5-nitrobenzaldehyde is a nitro compound that is used in the synthesis of dobutamine. It has been shown to undergo rearrangements, with the formation of 2-methyl-5-nitrophenol. Kinetic studies have shown that chlorine can be substituted for hydrogen at the 2 position, and this substitution leads to an increase in reactivity. 2-methyl-5-nitrobenzaldehyde also reacts with dopamine to form a ketone. The hydroxy group on this molecule is nucleophilic and can attack electrophiles, making it useful as an active site for synthetic reactions. This compound is also pyrophoric, which means it will spontaneously ignite in air and burn until all its fuel is consumed.

2-(2-Azidoethoxy)acetic Acid is a hydrophobic antibacterial agent that can be used to inhibit bacterial growth by disrupting the cell membrane. It has been shown to inhibit the growth of Staphylococcus aureus and Escherichia coli, which may be due to its ability to bind to the glutathione moiety in the bacterial cell membrane. 2-(2-Azidoethoxy)acetic Acid has been shown to have antimicrobial activity against both Gram-positive and Gram-negative bacteria in vitro. This compound is also able to cross the cell membrane, inhibiting bacterial replication in vivo.

Versatile small molecule scaffold

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Versatile small molecule scaffold

Versatile small molecule scaffold

Boc-His(Trt)-OH is a chemical compound that has been used in the laboratory to study uptake and binding of compounds. It is stable in complex with albumin, which has led to its use as a model system for studying hepatic steatosis. This chemical can be synthesized by solid-phase synthesis with trifluoroacetic acid and polypeptide synthesis. FT-IR spectroscopy has been used to characterize Boc-His(Trt)-OH, revealing its chemical diversity.

Versatile small molecule scaffold

Versatile small molecule scaffold

CASIN is a lysine-derived antimicrobial agent that inhibits the growth of bacteria by binding to the peptide chains of collagen, which are found in skin and mucous membranes. CASIN has been shown to inhibit the growth of many bacterial species, including those that are resistant to other antibiotics. CASIN can be used for the treatment of infectious diseases caused by bacteria, such as bacterial vaginosis or chlamydia. CASIN has also been shown to reduce body mass index in animal models. The mechanism of action is not known but may involve interference with an enzyme that controls the biosynthesis of fatty acids. The use of CASIN in humans is limited due to its toxicity on human cells and potential safety concerns.

Versatile small molecule scaffold

MW 20,000 - 30,000

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

Versatile small molecule scaffold

Versatile small molecule scaffold

4-Acetamidobenzenesulfonyl azide (4ABS) is a low detection reagent that can be used for the determination of 4-acetamidobenzoic acid. It reacts with the amine group in 4-acetamidobenzoic acid to form a sulfonamide intermediate and releases an azide ion. The linear calibration curve was obtained using vibrational spectroscopy and has a detection sensitivity of 0.03 ppm. This method can also be used to determine the functional groups present in dopamine, which have been shown to affect electrochemical impedance spectroscopy measurements.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

3-Bromo-4-chloroaniline is a chloroaniline compound. It is synthesized by reacting hexamethylenetetramine with chlorine gas in the presence of formaldehyde and paraformaldehyde. 3-Bromo-4-chloroaniline has been used to produce other compounds, such as trimethylchlorosilane, which is used in the production of silicone rubber. Chloroanilines are toxic chemicals that can be found in the environment and react with formaldehyde to produce carcinogenic substances called halofuginones.

2-Bromo-5-fluoro-4-nitroaniline can be synthesized in a reaction system of ammonium chloride, hydrochloric acid, and water vapor. The reaction is carried out at a temperature of 190°C under reflux. The efficiency of this synthesis is high, and the chemical yield is about 90%.

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Versatile small molecule scaffold

Metal-chelating agent

1-(But-3-yn-1-yl)piperidine is a chiral compound that inhibits the reuptake of serotonin. It has been shown to be an effective inhibitor of the serotonin transporter and to cause an increase in extracellular serotonin levels. 1-(But-3-yn-1-yl)piperidine also has affinity for the dopamine transporter, which may account for its antidepressant effects.

Versatile small molecule scaffold

Monomethyl glutarate is a monomer for the synthesis of polymers. It has been used in the past as a precursor for the production of polyacrylic acid and its copolymers. Monomethyl glutarate is synthesized by the reaction of hydrochloric acid, high salt, and an expression plasmid containing glutarate dehydrogenase. This compound is also used as a reagent in kinetic studies of fatty acids and glutaric acid. Monomethyl glutarate is an acidic compound with a pKa value of 3.5 at 25°C. It is rapidly hydrolyzed in water to form monomethyl glutarate acid, which has a pKa value of 2.4 at 25°C. Monomethyl glutarate can be ingested orally or applied topically due to its low energy requirements for hydrolysis in water.

4-(2-Bromoethyl)morpholine hydrobromide is a solvent that is used as an agent in the production of other chemicals. It is a colorless, crystalline solid with a constant melting point of 130 to 131 degrees Celsius. 4-(2-Bromoethyl)morpholine hydrobromide is soluble in acetone, ethanol, ether, and water. This chemical has been shown to be toxic and should be handled with care.

Methyl 5-hexynoate is a synthetic product that can be synthesized from soybean lipoxygenase and hydrogenation reduction. This product has been shown to be a useful synthon for the synthesis of monoclonal antibodies with high binding affinity. The synthetic pathway, which involves cross-coupling and asymmetric synthesis, is outlined in the diagram below. The following are the steps involved in the production of methyl 5-hexynoate: 1) Addition of ethyl bromide to terminal alkynes 2) Addition of hydrochloric acid 3) Reaction with potassium tert-butoxide 4) Hydrogenation reduction 5) Cross-coupling reaction 6) Asymmetric synthesis

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ABX464 is a monoclonal antibody that targets bacterial translocation. It has been shown to have clinical efficacy in preventing the recurrence of inflammatory bowel disease. ABX464 binds to the M2 phenotype of macrophages and blocks the binding of chemoattractant protein to its receptor, leading to decreased inflammation and less bacterial translocation. It also prevents HIV infection by blocking viral attachment to CD4 cells and inhibiting HIV-1 replication.

Versatile small molecule scaffold

Diethyl Acetylphosphonate is a synthetic chemical that is used in the production of ethyl esters, which are used as intermediates for the production of epoxides. It has shown to be a bidentate ligand and reacts with primary amines. Diethyl Acetylphosphonate can be made by reacting phosphorus pentachloride with ethyl acetate and hydrochloric acid. The reaction mechanism is similar to that of other organophosphorus compounds, in which a phosphine oxide intermediate reacts with an organic halide. Diethyl Acetylphosphonate has shown to be effective in detergent compositions and triethyl orthoformate, as well as alkanoic acid.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Hydroxyethyl benzoate is a model system that has been used to study the mechanism of hydrolysis of an ester with a hydroxyl group. The reaction products are a metal hydroxide and a chloride ion. 2-Hydroxyethyl benzoate is an antimicrobial agent that has shown activity against bacteria, fungi, and protozoa. It is thought to work by reacting with fatty acids in the cell membrane, leading to disruption of the membrane and leakage of cellular contents. It also reacts with chloride ions to form hydroxybenzoic acid and water molecules. The activation energy for this reaction was found to be around 19 kJ mol−1.

Versatile small molecule scaffold

(Chloromethyl)cyclohexane is a synthase gene that is responsible for synthesizing the enzyme chloromethyl cyclohexane, which is used as a solid catalyst. The synthesis of (chloromethyl)cyclohexane from phenyl groups and liquid crystal composition has been demonstrated using expression plasmids and active oxygen. The compound inhibits inflammatory diseases by preventing the production of arachidonic acid, which is an inflammatory agent. This compound also inhibits the production of prostaglandins, which are involved in the release of histamine from mast cells. Pharmaceutical preparations that contain this compound are primarily used to treat rheumatoid arthritis and other inflammatory diseases.

2-Amino-6-chloropurine is a nucleophilic substituent that is used in the synthesis of 2-amino-6-chloropurine. It reacts with hydroxyl groups to form a palladium-catalyzed coupling reaction solution, which is then treated with hydrochloric acid and trifluoroacetic acid. The product is purified by crystallization and recrystallization. This compound has potent antitumor activity against carcinoma cell lines, but it has not been shown to have any effect against Mycobacterium tuberculosis.

Versatile small molecule scaffold

1,2-Bis(chlorodimethylsilyl)ethane is a reactive chemical that is synthesized from hydroxychloroformates and hydrogen chloride. It reacts with silicon to form chlorosilanes, which are then used in the polymerization of siloxanes. 1,2-Bis(chlorodimethylsilyl)ethane has been shown to be an effective initiator for the polymerization of methyl methacrylate and ethylene glycol dimethacrylate. 1,2-Bis(chlorodimethylsilyl)ethane is also used as a hydroxyl group donor in organic reactions.

Versatile small molecule scaffold

Versatile small molecule scaffold

2,4,6-Triphenylpyridine is an aromatic heterocycle with a benzyl group and trifluoroacetic acid at the 2-, 4-, and 6-positions. It is a colorless solid that has a melting point of 183 °C. In the gas phase, it exists as three anion radicals (2-, 4-, and 6-). These radicals are responsible for its optical properties. The 2-anion radical has a blue emission spectrum while the 4- and 6-anion radicals have red emission spectra. 2,4,6-Triphenylpyridine can be used as an indicator for trifluoroacetic acid or benzonitrile. It is soluble in primary alcohols such as methanol and ethanol at lower temperatures, but becomes insoluble at higher temperatures. 2,4,6-Triphenylpyridine also has functional theory applications due to its ability to

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%.

2,3-Dihydro-1H-pyrrolo[3,2-c]pyridine is an alkaloid compound that has various applications in research and chemical studies. It has been found to interact with dopamine receptors and exhibit photothermal properties. This compound has been studied in the context of G. lucidum (also known as Reishi mushroom) and its potential therapeutic effects. Additionally, it has shown interactions with quinpirole, lithium, ergovaline, efrotomycin, and other compounds. The photocatalytic and fatty acid properties of 2,3-Dihydro-1H-pyrrolo[3,2-c]pyridine make it a versatile compound for various research purposes.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Leu-Leu-Leu-OH is a pentapeptide that is used in cancer treatment to inhibit the growth of cancer cells. It prevents the production of proteins and, as a result, cell division. Leu-Leu-Leu-OH has been shown to be effective against tumor cells with an antibody that binds to the surface of cells. The monoclonal antibody is taken up by the cancer cells through receptor mediated endocytosis, which leads to inhibition of protein synthesis and cell death.

Versatile small molecule scaffold

Cabozantinib is a small molecule that is the first to target VEGFR-2, which is a receptor tyrosine kinase involved in the development of fibrosis. Cabozantinib inhibits the activity of VEGFR-2 by binding to its ATP-binding site and blocking the phosphorylation of downstream signaling pathways. Cabozantinib has been shown to have antifibrotic properties in both preclinical and clinical models. The drug candidate has been shown to reduce kidney fibrosis in animal models. The standard dose for cabozantinib was found to be 5 mg/kg, with a maximum tolerated dose of 20 mg/kg. In vitro studies have indicated that cabozantinib binds with high affinity to the ATP-binding pocket of VEGFR-2, exhibiting competitive inhibition against other kinases such as PDGFR-beta and cKit, as well as diaryliodonium (a specific inhibitor). Caboz

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3,6-Dichloropicolinonitrile is a peroxide that is used in the synthesis of organic compounds. It is produced by the reaction of sodium carbonate and hydrochloric acid with nitric acid as a catalyst. 3,6-Dichloropicolinonitrile has been shown to be more selective than other oxidizing agents such as hydrogen peroxide and potassium permanganate. The product can then be purified by adding diacetate, which selectively reacts with the chlorine to form acetyl chloride and glycolic acid. The resulting mixture can then be distilled to produce 3,6-dichloropicolinonitrile in high purity. 3,6-Dichloropicolinonitrile can also be used in electrochemical methods for the synthesis of cyanides or biochemically for virulent products such as pesticides and organic solvents.

Versatile small molecule scaffold

2-(4-Methoxy-1H-indol-3-yl)ethan-1-amine is a synthetic compound that belongs to the class of organocatalysts. It is a serotonin receptor agonist, and has been shown to act as an antagonist at the 5HT2AR. This drug has been shown to have stereoselective effects in vitro, with high affinity for the S form of 5HT2AR. 2-(4-Methoxy-1H-indol-3-yl)ethan-1-amine also has some activity against dopamine receptors, but not as much as other compounds in its class. !--[if !supportLists]-->· !--[endif]-->This drug binds to speciogynine and alstovenine receptors, which are part of the opioid system.!--[if !supportLists]-->· !--[endif]-->Modelling studies suggest that 2-(4-M

8-Chloro-3,7-dihydro-1H-purine-2,6-dione is a reactive molecule that binds to the active site of bacterial cyclic nucleotide phosphodiesterases and inhibits their activity. This inhibition prevents the breakdown of cAMP and cGMP, which are important second messengers in eukaryotic cells. 8-Chloro-3,7-dihydro-1H-purine-2,6-dione is also a potent inhibitor of protein synthesis and has been used in research studies on wheat leaves.

Versatile small molecule scaffold

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Versatile small molecule scaffold

Tripropylphosphine is a fatty acid that can be synthesized by reacting tripropyl alcohol with phosphorus trichloride. Tripropylphosphine is soluble in organic solvents, and has an optical rotation of +58°. It has been shown to have cancer-inhibiting properties, as well as the ability to inhibit tumor growth and induce apoptosis in cancer cells. This compound may also be used as a growth regulator, since it inhibits the synthesis of certain proteins and enzymes.