Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

1-(2,4-Difluorobenzoyl)piperidine-4-carboxylic acid is a custom synthesis that is used for the methylation of carbohydrates. 1-(2,4-Difluorobenzoyl)piperidine-4-carboxylic acid has been shown to be an effective reagent for the conversion of oligosaccharides and polysaccharides to their corresponding monosaccharide derivatives. It can also be used to modify saccharide structures or to fluorinate saccharides. This chemical is highly pure and can be modified with click chemistry.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>4-[4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid is an inhibitor of the protein tyrosine phosphatase 1B. This drug binds to the ATP site and competitively inhibits the binding of ATP, which results in the inhibition of the catalytic activity of this enzyme. 4-[4-(Ethoxycarbonyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzoic acid has been shown to inhibit ion channels, such as nicotinic acetylcholine receptors, as well as other protein interactions like receptor interaction.</p>

<p>Versatile small molecule scaffold</p>

<p>5-Fluororesorcinol is a fluorine-containing analog of resorcinol. It is used as a topical medication for the treatment of acne, psoriasis, and other skin disorders. 5-Fluororesorcinol has been shown to inhibit the production of tyrosinase, an enzyme that catalyzes the oxidation of phenols to quinones. This process is involved in the formation of melanin and plays a role in inflammation and cell proliferation. 5-Fluororesorcinol also binds to cannabinoid receptors (CB1 and CB2) with high affinity. The molecular model for 5-fluoro resorcinol shows hydrogen bonding interactions with the hydroxyl group and fluorine atom. It also exhibits ferroelectric behavior due to its nonlinear dipole moment. The presence of two isomers (5R or 6S) may be due to steric hindrance from one or more methyl groups in the ortho</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

4-(Chloromethyl)-3-methoxy-5-methyl-1,2-oxazole (CGS 19755) is a neuroprotective agent that binds to the glutamate receptor, inhibiting glutamate binding. It also inhibits the production of intracellular cGMP, which may be due to its ability to inhibit the binding of G protein coupled receptors. CGS 19755 has been shown to have neuroprotective properties in vivo and expressed in vitro. It has high affinity for both alpha-amino-3-hydroxy-5-methylisoxazolepropionic acid (AMPA) and N -methyl--aspartic acid (NMDA) receptors. CGS 19755 has been shown to be more potent than other glutamate antagonists such as LY 273558 in animal tests for neuroprotection.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>(R)-1-(4-Chlorophenyl)ethanol is a chiral alcohol that can be used in the synthesis of enantiopure compounds. The racemic mixture of this alcohol is not suitable for use as a substrate in asymmetric synthesis because it has no optical activity. This alcohol is oxidized by dehydrogenase enzymes to form (S)-1-(4-chlorophenyl)ethanol and an H radical, which then reacts with O2 to form HO2 and (R)-1-(4-chlorophenyl)ethyl radical. The reactivity of these two radicals will depend on the concentration of the substrate and the presence of other substrates that compete with it for binding sites on the enzyme. In general, short-chain alcohols are more easily hydrated than longer chain alcohols. The reaction rate also increases with temperature, although at high temperatures, substrate binding and product release may become limiting factors.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Azabicyclo[2.2.2]octan-3-ylmethanamine (AOBA) is a drug that belongs to the class of oximes. It is an effective antidote for poisoning from nerve agents such as sarin and tabun. AOBA acts by binding to the active site of the enzyme acetylcholinesterase, which breaks down acetylcholine in the neuromuscular junction, thereby preventing paralysis caused by these nerve agents.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>4-Methyl-3-quinolinamine is a compound that is synthesized by the diazotization of 4-methyl-3-nitroaniline and can be used as a synthetic intermediate. The ring system of this compound has not been determined.</p>

Versatile small molecule scaffold

<p>2-Bromocyclohex-2-en-1-one is a reactive compound that belongs to the group of organometallic compounds. It is utilized in polyphosphoric acid production, where it reacts with hydrocarbons and alcohols to form esters or ethers. This compound may also be used as an intermediate in the preparation of Taxol, which is a drug used to treat cancer. 2-Bromocyclohex-2-en-1-one has shown enantioselective reactions with chloride ion and chiral trifluoroacetic acid, leading to the formation of enolate anion. The reaction mechanism for this process is still not fully understood.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2,4,5-Trichlorothiazole (2,4,5-T) is a chlorinated organic acid that is used as an active substance in the manufacture of pesticides. 2,4,5-T has been shown to be toxic to plants and animals by inhibiting growth and causing damage to cells. It has been used as an herbicide for the control of weeds and grasses in crop fields. The chemical is also an algicide for the control of algae in lakes and rivers. 2,4,5-T can be applied as a foliar spray or soil drenching agent. This chemical can also be diluted with water or other substances before application.</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>N-Phenylpyrimidin-4-amine is a drug that binds to the bromodomain, a protein domain in the cell nucleus. It has been shown to have clinical relevance as an anti-inflammatory agent and as a potential treatment for autoimmune diseases, cancer, and nitro. N-Phenylpyrimidin-4-amine has been shown to inhibit the production of influenza virus in cells by binding to the alkylthio group on its surface. This drug is also being studied as a potential therapy for avian influenza and other viral infections. In addition, it has been shown to inhibit the replication of human immunodeficiency virus (HIV) in cultured lymphocytes.</p>

<p>2-Ethylpyridin-4-amine is a pyridine that can be synthesized from the amination of 4-nitrophenol. It can also be synthesized by acylation of 2-ethylpyridine with ethyl chloroformate followed by cyclization. This compound has shown to have high yields in reactions involving pyridines and it is often used as a precursor for other compounds.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

4-Bromo-3-chlorosulfonylbenzoic acid (4BCSA) is a synthetic cannabinoid that has been modified to have increased affinity for the CB2 receptor. 4BCSA has been shown to produce analgesia in animal models of neuropathic and inflammatory pain. This drug also blocks the effects of endocannabinoids at the CB1 receptor, which may be useful for treating postoperative and chronic pain. In addition, 4BCSA has been shown to inhibit caspase activity in cells and increase levels of glutathione, which may have therapeutic benefits for diseases such as cancer.

<p>4-(3-Methoxyphenoxy)benzoic acid is a chemical compound that has dehydrating properties and can be used industrially as an organic solvent. It is a colorless, water-soluble liquid with an aprotic nature. 4-(3-Methoxyphenoxy)benzoic acid is also used to prepare other chemicals by hydrolysis, such as 3-methoxybenzoic acid and 3,4-dimethoxybenzoic acid.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Methyl 4-methanesulfonamidobenzoate is an enzyme inhibitor that binds to the hydroxyl group of the active site on enzymes, such as human protein kinase. The hydroxyl group of this compound interacts with the amide group of the enzyme, preventing it from carrying out its normal function. Methyl 4-methanesulfonamidobenzoate has been shown to inhibit a number of different enzyme isozymes, including 2-methylisocitrate dehydrogenase and cyclooxygenase 2. This drug also has selectivity for one conformation over another because it binds only to the human form of these enzymes, while not binding to other animal or microbial forms.</p>

<p>Versatile small molecule scaffold</p>

<p>3-Phenoxybenzonitrile is a diphenyl ether that can be used as an anti-cancer and pesticide. It has been shown to inhibit the growth of human cancer cells in vitro, and is effective against a number of insect pests. 3-Phenoxybenzonitrile is toxic to humans, but is less toxic than other phenoxybenzamines. 3-Phenoxybenzonitrile has also been shown to be carcinogenic, with parameters such as hydrogen chloride, optimization and chloride affecting its carcinogenicity. This chemical's toxicity depends on the functional group present at the 3-position. In the presence of chloride ions, it reacts with acetonitrile to form 1,2-dioxane and hydrogen chloride. The rate of this reaction will depend on the reaction time and temperature.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>2-(2,3-Dihydro-1H-indol-1-yl)acetonitrile is a chemical with the molecular formula of C9H7N. It has a cyano group and stabilized carbanions. The compound is used in organic synthesis as a reagent to make various products, such as spiropyrans and perchlorate. It can also be transformed into indoline derivatives through condensation reactions with aromatic aldehydes.</p>

<p>Versatile small molecule scaffold</p>

<p>6-Methyl-benzofuran-2-carboxylic acid is a hydroxamic acid that has been shown to have pharmacological properties. It is a potent histone deacetylase inhibitor and blocks the activity of diuretic, ligand, benzofurans, and inhibitors of deacetylase. 6-Methyl-benzofuran-2-carboxylic acid also has minimal effects on the cardiovascular system.</p>

<p>3-Chloro-4-ethylbenzenamine is a chlorinating agent that reacts with amines to produce chloroamines. It is used as a catalyst in the production of tetramethylurea, anisole, chloro xylene, naphthylamine, and nitrobenzene. 3-Chloro-4-ethylbenzenamine also participates in the synthesis of 3,4-dichlorophenyl isocyanate and benzene. It can be used as a chemical intermediate for the production of polycarbonates or polyurethanes.</p>

<p>7-Bromoheptan-2-one is a hydrogen bond donor that can act as a proton receptor. It has been shown to be able to reversibly bind chloride ions in the cavity of an anion, which has been modified with a 2,3-diaminopyridine moiety. This compound has been synthesized by reacting acetonitrile with 7-bromoheptanoic acid and the amine in a 1:1 ratio at room temperature for 3 hours. The supramolecular chemistry of this compound is based on its ability to form hydrogen bonds with other molecules. 7-Bromoheptan-2-one also has peptidomimetic properties because it can form tetrapyrrolic structures. 7-Bromoheptan-2-one has been used in titration calorimetry experiments to study the binding affinity of the molecule for various metal cations.</p>

<p>3-Benzyloxy-4-hydroxybenzaldehyde (3BOHB) is an aromatic compound that is used in the synthesis of aporphines. It can be synthesized by using a Wittig reaction with phenylmagnesium bromide and 3-benzyloxybenzoic acid. This product has been shown to have anticancer activity against breast cancer cells, as well as other cancer cells, in mice and rats. 3BOHB is also biosynthesized by clivia plants, and it is commercially available as a starting material for drug synthesis.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

3-phenoxybenzylamine is a regulatory agent that has been shown to inhibit the activity of some drugs. The toxicities of 3-phenoxybenzylamine are similar to those of other inhibitor drugs and include acute toxicity, which may be due to inhibition of intracellular ATP, and chronic effects that may be due to protein–protein interaction or competition with chloride for the cell membrane. It has been shown to be an excellent validation agent for acrylonitrile production by reacting with acetonitrile in the presence of alkali metal compounds. 3-Phenoxybenzylamine also inhibits cancer cells, which is related to its ability to bind proteins in the cancer cell membranes.

<p>4-Methanesulfonylbutan-1-amine hydrochloride is a heterocyclic compound that belongs to the group of carbamothioates. It is a white solid with low solubility in water. 4-Methanesulfonylbutan-1-amine hydrochloride has been used as an intermediate in the synthesis of other compounds and has also been shown to have dermatological properties. This compound can react with alcohols, thiols, and isothiocyanates to form sulfones, sulfonates, and isothiocyanato compounds respectively.</p>

2-Benzyl-1,3-thiazolidine-4-carboxylic acid is a sulfur containing compound that is an ionizable, crystallographic, and spectroscopic compound. It has the ability to react with amino acids in the presence of heat. The vibrational spectrum of 2-benzyl-1,3-thiazolidine-4 carboxylic acid displays peaks at 1240 cm and 1450 cm. The x-ray crystallography data for 2BZTAC is available in the supplementary information.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>5-Methoxyisoindoline-1,3-dione is a hydroxycinnamic acid derivative that was first isolated in 1882 by the German chemist Adolf von Baeyer. It is produced by the oxidation of salicylaldehyde and has been used as a chemical intermediate. It has also been used as a therapeutic agent during World War I, but this use was discontinued due to its toxicity. 5-Methoxyisoindoline-1,3-dione is a potent inhibitor of mitosis and causes cell death in cells undergoing division. This compound is also an acetamido derivative of colchicine, which inhibits mitosis by binding to microtubules and inhibiting their polymerization.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

2,5-Dichlorophenylhydrazine hydrochloride (2,5-DCPH) is a colorless crystalline compound that is soluble in water. It reacts with hydrogen peroxide to produce 2,5-dichlorophenol and with hydrochloric acid to produce 2,5-dichloroacetic acid. The hydrolysis of the hydrochloride form produces hydrogen chloride and 2,5-dichloroaniline.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>