Building Blocks

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>2-Phenylpyrimidine-4,6-diol is a small molecule that belongs to the class of allosteric enhancers. It is synthesized by reacting 2-phenylpyrimidine with 4,6-dihydroxybenzoic acid in the presence of a base. It has been shown to bind to adenosine receptors and act as an antagonist at both A2A and A3 receptors, as well as having inhibitory properties on the A2A receptor. Allosteric modulators such as this drug are thought to be potential treatments for neurological disorders such as Alzheimer's disease or Parkinson's disease.</p>

<p>Versatile small molecule scaffold</p>

<p>1,3,3-Trimethyl-2-methylidenebicyclo[2.2.1]heptane is a chiral compound that is produced by dehydrating and deforming 1,3,5-trimethylcyclohexadiene with zinc chloride and ethyl acetate. It has been shown to have high yield in the process of dehydration and deformation. The crystal structure was determined using x-ray crystallography and was found to be a racemic mixture of two enantiomers. 1,3,3-Trimethyl-2-methylidenebicyclo[2.2.1]heptane has been shown to be active against catfish parasites and has also demonstrated activity as an insecticide or pesticide; however, it does not have any known human uses at this time.</p>

<p>Versatile small molecule scaffold</p>

<p>4-(1H-Imidazol-4-yl)benzoic acid is a white crystalline solid that is soluble in water. It is a coordination compound with two carboxylate functional groups and two imidazolyl ligands in the form of linear chains. The temperature of the reaction determines whether copper or nickel will be used as the metal ion. With copper, 4-(1H-imidazol-4-yl)benzoic acid forms a mononuclear complex, whereas with nickel it forms a bidentate complex. This chemical has been shown to have antimicrobial activity against bacteria and fungi, including methicillin resistant Staphylococcus aureus (MRSA).</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>Versatile small molecule scaffold</p>

<p>N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine is a crystalline compound that is soluble in water. It has two tautomeric forms: the imino form and the keto form. The imino form is a crystalline solid with a melting point of 113 °C. The keto form is an oily liquid with a boiling point of 118 °C. The spectra of both forms are identical to those of benzaldehyde.</p>

<p>4-Chlorophthalazin-1-amine is a tetracyclic compound that is synthesized by the sequential use of alkylation, transition, and alkylation reactions. The first step of the synthesis involves the reaction of an aryl glyoxal with a pyridazine to give an intermediate which undergoes intramolecular cyclization to form a pyridazine. The second step involves the reaction of this intermediate with phenyl bromide to form the desired product. 4-Chlorophthalazin-1-amine is used as a catalyst in amination reactions.</p>

<p>Versatile small molecule scaffold</p>

<p>3-Methylbenzenesulfonamide is a white crystalline solid that is soluble in water and ethanol. It has a melting point of 112 °C, with the molecular weight of 149.3 g/mol. 3-Methylbenzenesulfonamide can be synthesized by reacting 3-methylbenzoic acid and ethyl sulfonyl chloride. The chemical structure of this compound is a chain of six carbon atoms with two hydrogen bonds, which are dihedral angles. This compound is asymmetric because it contains one more chiral carbon atom than the other.</p>

<p>Versatile small molecule scaffold</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>

<p>3-Ethylpiperidine hydrochloride is a nitrogenous chemical. It is an ethylene acetal, which is formed by the reaction of ethylene and piperidine. The molecule has the chemical formula CHCH2OCH2N(CH3)CH2CH2OH. 3-Ethylpiperidine hydrochloride can be synthesized by alkylation of piperidinium chloride with ethyl bromide. 3-Ethylpiperidine hydrochloride is a chiral molecule with a conformational stereochemistry that allows for two possible configurations: endocyclic and exocyclic. This compound also has a tetroxide group and is optically active due to its asymmetric carbon atom. The lactam ring in 3-ethylpiperidine hydrochloride has three exocyclic double bonds that are not conjugated with each other. These bonds are located on the 3rd, 4th, and 5th</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>2',3',4'-Trichloroacetophenone is a chlorinated organic compound. It is a colorless solid that has been synthesized by the reaction of acetophenone with chlorine, and reacts with propionate to produce 4-chlorophenol. The compound has been used as an antifeedant for larvae and insects, and in the synthesis of chalcones.</p>

<p>Phenyl propargyl ether (PPE) is a reactive compound that has been used in the synthesis of luminescent probes. PPE reacts with ethyl formate to form an ester and an aldehyde, which can be used for the synthesis of biodiesel. PPE also undergoes nucleophilic attack by deuterium isotope to produce a deuterated product, which is useful in structural biology studies. The reaction mechanism of PPE is similar to that of other organic compounds containing carbon-nitrogen double bonds. NMR spectra show that PPE has a triplet ground state, which is indicative of its reactivity. The activation energies are relatively low, indicating that it is easy to break the covalent bond in the triplet state. This chemical reacts with azides and can be used as a chemical ligation agent for bioconjugation reactions.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Ethyl 1H-tetrazole-5-acetate (ETZA) is a ligand that binds to the active site of prolyl hydroxylase, which is an enzyme involved in collagen synthesis. ETZA inhibits the activity of this enzyme by binding to its heme cofactor, leading to a decrease in the production of collagen and thus inhibiting tumor growth. It has been shown that ETZA has no effect on healthy cells or normal tissues. In vitro studies have shown that ETZA can inhibit cancer cell growth and cisplatin resistance in vivo. ETZA also has a structural similarity to chloride ions and thus may be able to inhibit chloride channels such as those found in cancer cells.</p>

<p>Versatile small molecule scaffold</p>

<p>4,5,6,7-Tetrahydro-1H-indole is a chemical compound that is an intermediate in the synthesis of other compounds. It reacts with halides to produce methyl sulfones and metal hydroxides. Tetrahydro-1H-indole can also react with acyl halides to form thiocyanates. The reaction mechanism has been studied using nmr spectra and chemical study. 4,5,6,7-Tetrahydro-1H-indole is an active substance that has been used in synthetic chemistry.</p>

<p>Benzyloxyacetonitrile is a synthetic chemical that reacts with hydrochloric acid to form an acid complex. It has been used in the preparation of ethylene diamine and other amines. In addition, benzyloxyacetonitrile has been shown to react with phosphorus pentoxide to form a reactive chloride, alkylthio group, hydrogen chloride, hydroxy group, nucleophilic, acid complex.</p>

<p>Versatile small molecule scaffold</p>

<p>5,7-Dimethyl-1-tetralone is a coumarin derivative that is a single-crystal x-ray analysis preparative. It has been found to undergo cross-coupling reaction with a variety of organometallic reagents. 5,7-Dimethyl-1-tetralone can be used as a research chemical in the synthesis of other chemicals and pharmaceuticals. Cross coupling reactions with lithium diisopropylamide have been shown to produce 6-methoxy-1-tetralone which can be saponified to form an intermediate for the synthesis of drugs. The tautomerization process is also mediated by the solvent and the reaction time.</p>

<p>Versatile small molecule scaffold</p>

<p>2-(4-Methylphenyl)-4,5-dihydro-1H-imidazole is a crystalline compound that forms hydrogen bonds with water. It has been shown to form chains and stacks in the crystal structure. The compound has a centroid of 2.8 Å and its dihedral angles are around 120°. Five molecules in the molecule stack on top of each other, stabilized by hydrogen bonds.</p>

<p>1,3,8-Triaza-spiro[4.5]decane-2,4-dione is a potential anti-cancer drug that inhibits the production of lactate and ammonium ions in lymphocytes. This leads to an increase in the oxidation of glucose and lactic acid to CO2 and H2O. The inhibition of lactate production reduces the accumulation of ammonium ions, which inhibits the activity of hydroxylases. 1,3,8-Triaza-spiro[4.5]decane-2,4-dione also targets hypoxia inducible factor (HIF) and cyclophosphamide resistance protein (CPR), leading to a decrease in the proliferation rate of lymphocytes. Ammonium carbonate is used as a stabilizing agent for this compound during crystallization.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>3-Methoxy-isoxazole-5-carboxylic acid (3MICA) is an amide analog of diborane. 3MICA has been synthesized in the past and is also present in amanita muscaria, a mushroom that contains psychoactive compounds. 3MICA is a potent agonist of the cannabinoid receptor type 1 (CB1), with three times the potency of Δ9-tetrahydrocannabinol. It has also been shown to inhibit acetoacetate decarboxylase, which may be responsible for some side effects associated with CB1 activation.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>1,3-Diethyl 2-[2-(3-nitrophenyl)hydrazin-1-ylidene]propanedioate is a halogen that has been used in the production of silver and silver halide. In the presence of light, this compound undergoes a series of reactions to form silver. It can be used as a reducing agent for silver ions or as a precursor for the formation of other silver compounds. This compound also functions as an agent that converts chloride ions to bromide ions by reaction with hydrogen peroxide.</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>Versatile small molecule scaffold</p>

<p>2-(ethanesulfonyl)acetonitrile is an organic solvent that has a constant boiling point, high reactivity, and low toxicity. It can be used as an acid catalyst in fluorination reactions or to synthesize nitro groups. 2-(ethanesulfonyl)acetonitrile has a reactive functional group and hydrocarbon group that can be substituted with other substituents. The fluorine atom in this compound is replaced with a nitro group when it reacts with oxygen. 2-(ethanesulfonyl)acetonitrile is used in synthetic chemistry to create nitro compounds by the reaction of nitric oxide with the nitro-group on the aromatic ring.</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>Versatile small molecule scaffold</p>

<p>1-(4-Nitrophenyl)azepane is a potent fxa inhibitor. It inhibits the serine proteases, such as thrombin, and has been shown to have anticoagulant effects in animal models. 1-(4-Nitrophenyl)azepane interacts with the active site of serine protease and competes with the substrate for binding to coagulation proteins. This inhibition leads to a reduction in coagulation and an increase in bleeding time.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>1,2-Dimethylpiperidin-4-one is a chiral compound that can be used to make optically active compounds. It is an important intermediate in the synthesis of piperidones. The 1,2-dimethylpiperidin-4-one has two diastereomers, which are called cis and trans. The cis configuration has a methyl group in the same plane as the amine group, whereas the trans configuration has the methyl group in a different plane. The cis configuration is more stable than the trans one and this is because it is less sterically hindered by the bulky groups on either side of it. This means that if you want to make an optical pure compound, it will be easier to do so using cis rather than trans 1,2-dimethylpiperidin-4-one.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>3-Bromo-6-chloroquinoline is a cisplatin analogue that is used in the treatment of cancer. It has been shown to have cytotoxic effects against human T47D cells, an estrogen receptor positive cell line, by binding to DNA and interfering with DNA replication. 3-Bromo-6-chloroquinoline has also been shown to have significant cytotoxic activity against the Mcf-7 breast cancer cell line. It binds to the proximal region of the human cytochrome P450 1A2 enzyme and blocks its ability to metabolize drugs, which prevents the activation of certain anticancer agents. This drug also inhibits the synthesis of RNA and protein, leading to cancer cell death.</p>

<p>Versatile small molecule scaffold</p>

<p>Methyl 2-(2-oxocyclohexyl)acetate is a chiral, polycyclic organic compound that is an intermediate in the synthesis of tryptamines. It is prepared by reacting cyclohexylamine with methyl chlorocarbonate and then refluxing the mixture to produce the desired product. The yields of this reaction are typically low, but can be increased by using phosphoric acid as a catalyst.</p>

<p>4-Chloro-6-nitroquinoline is a dopamine receptor antagonist that has been shown to have high affinity and selectivity for the 5-HT6 receptor. This agent inhibits the binding of serotonin to 5-HT6 receptors, which causes an increase in dopamine release in the brain. 4-Chloro-6-nitroquinoline has been used in a study of Parkinson's disease and depression in humans.</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>3-Vinylthiophene is a stabilizer that can be used in the production of polymers and copolymers. It is used in the Suzuki coupling reaction to form vinylidene-3-thiophene, which has been shown to be an effective surface modifier for mesoporous materials. 3-Vinylthiophene has low affinity for both organic ligands and metal ions, making it a reactive compound. The absorption spectroscopy of 3-vinylthiophene shows a strong peak at 290 nm and a weak peak at 320 nm. With a photoelectron spectroscopy, it was found to have an electron affinity of 2.5 eV with a reactive copolymerization with phenylethyl and selenophene being possible reactions.</p>

1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one is a Grignard reagent that has been used in the synthesis of thiazoles. It has been shown to react with propionyl chloride to produce methylthiazole. This compound can also be used as a flavouring agent, which is often found in cinnamon, and as an anhydride for acylation reactions. 1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one is oxidizing and can react with organic chlorides to form chromic acid. This reaction is reversible and when heated will produce the original Grignard reagent and hydrogen chloride gas.

<p>2-Methyltetrahydrothiophen-3-one is an organic solvent that is found in the environment as a result of natural processes. It has been shown to inhibit bacterial growth and is used for the analysis of fatty acids. 2-Methyltetrahydrothiophen-3-one inhibits bacterial growth by inhibiting the synthesis of fatty acids, which are needed for cell membrane synthesis.</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>Versatile small molecule scaffold</p>

<p>4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol is an antibacterial agent that can be used in water. It is a congener of 4-(2-hydroxyethyl)-5-(pyridin-4-yl)-4H-[1,2,4]triazole 3(2H)-thiol and has been shown to have tautomeric and vibrational properties. 4-(2-Methoxyethyl)-5-(pyridin-4-yl)-4H-[1,2,4]triazole 3(2H)thiol has been shown to be photostable and exhibits additive effects with other compounds. The molecular weight of this compound is 278.37 g/mol.</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>2-{[4-Ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone (AET) is a subunit of an ion channel inhibitor. It binds to insect odorant receptors and blocks the activation of the ion channel. AET also blocks the pyridine ring and inhibits heterologous expression in mammalian cells. AET has been shown to be toxic to insects as well as mammals. The toxicity of AET is due to its ability to inhibit ligand binding to co-receptors, which is required for neurotransmitter release.<br>AET has been shown to affect the sensitivity of an insect species towards different concentrations of phenothiazines, which are drugs commonly used in pest control.</p>

<p>Versatile small molecule scaffold</p>

<p>4-Bromo-1-(2-chloroethyl)-1H-pyrazole is a chemical substance that belongs to the group of insensitive explosives. It has been shown to be thermally and geometrically insensitive, with an x-ray structure that is square planar. The techniques used to characterize this compound include XPS, EDS, SEM, and TEM. This compound also has magnetic properties and can be used as a catalyst in Suzuki reactions. 4-Bromo-1-(2-chloroethyl)-1H-pyrazole has been shown to be an efficient photoelectron emission source for microscopy techniques such as diffraction and transfer.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>5-Ethynyl-2-methoxypyridine is a drug with analgesic, marginally anti-inflammatory and anti-pyretic properties. It has been proposed to act as an inhibitor of prostaglandin synthesis. This compound is a weak base that is poorly soluble in water and slightly soluble in ethanol. It appears to have low oral bioavailability (less than 10%) but can be taken orally with minimal side effects because it does not cross the blood brain barrier or affect the central nervous system. 5-Ethynyl-2-methoxypyridine also has cyclic pharmacophore features that are similar to those found in aspirin and other drugs used for pain relief.</p>

<p>3,5-Dicyclopropyl-1H-pyrazole is a calcium channel modulator that can be used to treat cancers. 3,5-Dicyclopropyl-1H-pyrazole is activated by the addition of a phenyl group, which helps to increase its stability. As a calcium channel modulator, 3,5-Dicyclopropyl-1H-pyrazole blocks the function of voltage gated calcium channels. This leads to decreased production of cyclic AMP and subsequently decreases levels of protein kinase A activity. It also has an effect on hematological cancers, solid tumors, and esophageal cancer. 3,5-Dicyclopropyl-1H-pyrazole has been shown in animal studies to have cytotoxic effects against solid cancer cells and esophageal cancer cells.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>6-Chloro-7-fluoroquinoxaline is a quinoxaline that has been shown to have antiviral properties, inhibiting the activity of integrase enzymes in human cells. 6-Chloro-7-fluoroquinoxaline is structurally similar to other quinoxalines, with a hydrophobic region and a quinone acceptor. The pharmacophore of this drug is believed to be the same as that of other quinoxalines, which means it binds to the enzyme's active site by inserting into its hydrophobic pocket. 6-Chloro-7-fluoroquinoxaline has been shown to inhibit HIV and other viruses as well as SARS coronavirus (SARS CoV).</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>

<p>Versatile small molecule scaffold</p>