Building Blocks

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>4-Chloro-2-methylbutanoyl Chloride is a thiolactone that is used in the synthesis of dl-homocysteine. It is an environmental pollutant and can be found in the distillate from chlorinated solvents. 4-Chloro-2-methylbutanoyl Chloride reacts with chloride to form an environmentally hazardous reaction product. This chemical has been used as a medicine, but it has not been approved by the FDA for use in humans.</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>4-Methyl-3-phenylpentanoic acid is a chiral, enantioselective catalyst. It is catalyzed by rhodium and used in the asymmetric synthesis of β-unsaturated amides. This reaction is an example of an esterification that is catalyzed by a chiral, enantioselective reagent. 4-Methyl-3-phenylpentanoic acid has also been shown to be effective for the synthesis of chiral esters.</p>

<p>2-Methylbenzene-1,3-dicarbaldehyde is a divalent hydrocarbon that has an oxidation catalyst. This compound is used as an intermediate in the production of drugs and pharmaceuticals. It has been shown to have cardiovascular disorders, such as vasodilatation and hypotension. The mechanism of action is not fully understood but may be related to its ability to act as a nitrovasodilator by increasing nitric oxide (NO) release. 2-Methylbenzene-1,3-dicarbaldehyde also produces psychotic disorders when long term exposure occurs. This compound has been shown to have neurotoxic effects in animal models with long term exposure.</p>

Versatile small molecule scaffold

<p>4-Bromo-2-chloronaphthalen-1-amine is a chemical compound that can be synthesized from acetone and chlorides. The reaction proceeds via a nucleophilic substitution reaction in which one of the chlorine atoms is replaced by an electron pair from acetone. This process occurs when the substituent on the naphthalene ring is not sterically hindered, and it is therefore necessary to use substituents that are electron donors, such as methyl or ethyl groups. 4-Bromo-2-chloronaphthalen-1-amine has been synthesized in Japan by reacting acetone with sodium chloride and bromine at high temperature and pressure. The solvent used was benzene, which was removed after the reaction was complete.</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>2-Benzoyl-3-phenylaziridine is a heterocyclic compound that is obtained by the condensation of benzoyl chloride and phenylamine. It is used in the synthesis of azomethine dyes, which are mainly used as textile dyes. The ammonium salt of 2-benzoyl-3-phenylaziridine can be obtained on refluxing the hydrate with thiocyanate and acetonitrile. This transformation has been shown to be dependent on pH with an optimum at pH 8.5.</p>

<p>Versatile small molecule scaffold</p>

5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-ylhydrosulfide is a compound that is used in the synthesis of fonamide. It is a sugar with nitrification and nitrogen metabolism activity. 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-ylhydrosulfide can be converted to ammonium hydroxide by reaction with hydroxide or carbon disulfide. The resulting product can be further converted to amides by an amine or ethanol. The structure of this compound is similar to that of fonamide and may have antiinflammatory properties.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<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>

1-Azabicyclo[2.2.2]octane-3-carbonitrile (1ABOC) is a hydrolyzing antihistamine that is used to treat allergies in the eye. This drug binds to histamine H1 receptors and blocks the release of histamine from mast cells, thereby preventing allergic symptoms. 1ABOC also has anti-inflammatory properties and may be useful for treating inflammatory disorders.

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

<p>3-(Phenylethynyl)aniline is a chemical compound that is insoluble in water and has a reactive crosslink. It is reactive with long-term exposure and has a gel permeation chromatography isolated yield. 3-(Phenylethynyl)aniline can be thermally decomposed to phenylethanethiol, which is an exothermic reaction. The technique of nmr spectroscopy can be used to study the reactivity of this compound. 3-(Phenylethynyl)aniline exhibits specific spectral features that can be used to identify it by nmr spectroscopy.</p>

<p>Versatile small molecule scaffold</p>

Chloro[(chlorocarbonyl)disulfanyl]methanone is a chemical compound that is used in the synthesis of new organic compounds. It is a substrate for cross-coupling reactions with organometallic reagents. Chloro[(chlorocarbonyl)disulfanyl]methanone reacts to form a chloroalkyl sulfide and an alkene, which can be converted into an amide or amine. The reaction mechanism involves nucleophilic attack at the sulfur atom by the metal halide, followed by elimination of chloride ion from the intermediate sulfonium salt to form the desired product. Chloro[(chlorocarbonyl)disulfanyl]methanone has been used in the synthesis of enantiopure compounds that are difficult to obtain through other methods.

<p>2-Bromo-4-isopropylaniline is a spiroindoline that was synthesized by modification of the natural product, bryostatin. The compound has shown experimental activity against encephalomyelitis in mice. However, the mechanism of action is not known. 2-Bromo-4-isopropylaniline has been found to be an activator for ethylene and can catalyze reactions involving diphosphines and ligands. It binds to phenyl substituents on the molecule and forms x-ray crystallographic structures with high resolution. Optimization of the structure may lead to more potent analogs.</p>

Isothiourea is an imidazole derivative that acts as a competitive antagonist of histamine H2 receptors. It has been used in the synthesis of cimetidine and other histamine H2 receptor antagonists. Isothiourea inhibits the action of histamine on the H2 receptor by binding to it, thereby preventing its activation. This drug is a synthetic compound that can be made from chloroform and thionyl chloride. It may be synthesized in a two-step process starting with chloromethyl methyl (methylchloro)imidazole, which is reacted with hydrochloric acid to produce 5-(chloromethyl)-4-methyl-1H-imidazole hydrochloride.

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>1-(4-Fluorophenyl)prop-2-en-1-one is a chalcone that has been shown to have anticancer activity. It has been shown to stabilize the response elements of the transcriptional regulatory protein NF-κB and induce apoptosis in colorectal adenocarcinoma cells. This compound is also able to inhibit cancer growth by inhibiting tumor angiogenesis and metastasis. 1-(4-Fluorophenyl)prop-2-en-1-one binds to DNA, preventing transcription and replication, which leads to cell death. 1-(4-Fluorophenyl)prop-2-en-1-one has also been found to bind withaferin A, a molecule that has been shown to have anticancer activity.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2,5-Dichloro-3,4-dinitrothiophene is a crystalline solid with a tetragonal crystal system. It has been shown to form with yields of up to 45%, depending on the solvent. The crystal structure has been determined by X-ray crystallography and it was found to be monoclinic with nitro groups interacting in a manner analogous to nitro groups. Nitration of 2,5-dichloro-3,4-dinitrothiophene has been shown to produce 2,5-dichloro-3,4-dinitrobenzene and 2,5-dichloro-3,4-dinitrophenylhydrazine.</p>

<p>N-Methyl-3-indoleglyoxylic acid 97 is a potent and selective inhibitor of protein kinases, including the mitogen activated protein kinase (MAPK) family. It has been shown to inhibit proliferation of cells in vitro. In addition, N-Methyl-3-indoleglyoxylic acid 97 inhibits the activation of MAPK in response to stress or cytokine stimulation. This agent has been shown to be selective for different isotypes of protein kinases and displays good selectivity for inhibition of the enzyme activity.</p>

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

5-(Trifluoromethyl)pyrazole-3-carboxamide is an inhibitor of pyruvate kinase, which is involved in the synthesis of ATP. It also inhibits kinase M2, a protein that plays a role in cell division and may be involved in the development of cancer. This molecule has anticancer potential because it can inhibit the proliferation of cancer cells by preventing ATP production. 5-(Trifluoromethyl)pyrazole-3-carboxamide has been shown to have anticancer activity against cancers such as colon, breast, leukemia, and ovarian cancers. It also has potential as an antiangiogenic agent because it can inhibit the formation of new blood vessels that are required for tumor growth.

Versatile small molecule scaffold

<p>HS-173 is a synthetic nucleoside analog that has transcription-polymerase chain inhibitory activity. HS-173 inhibits the expression of genes by binding to the major groove of DNA and blocking the progression of transcription. This drug also induces autophagy to eliminate damaged or dysfunctional cells, as well as regulating cell proliferation and differentiation. In addition, HS-173 has been shown to have synergistic effects with epidermal growth factor (EGF) and radiation in hl-60 cells and monoclonal antibody against carcinoembryonic antigen in k562 cells.</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>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

<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>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

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>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

<p>2-Bromoethanesulfonic acid is a chemical inhibitor that inhibits the growth of methanogens by inhibiting methane production. It has been shown to be effective against resistant mutants that have evolved in wastewater treatment systems. 2-Bromoethanesulfonic acid has been used as a model system for studying methanogenesis and the development of methanogenic bacteria in vitro. In these studies, 2-bromoethanesulfonic acid inhibited methane production, but did not inhibit bacterial growth or the polymerase chain reaction (PCR). This drug was also found to be an effective wastewater treatment agent when used at concentrations of 10 mg/L, with a reduction in methane production of up to 50%.</p>

<p>4-(Acetyloxy)butanoic acid is a vasoconstrictor that has been shown to be effective in the treatment of autoimmune diseases, cancer, and other types of disorders. This compound has been shown to modulate the immune system by increasing the number of T-cells and natural killer cells. 4-(Acetyloxy)butanoic acid also provides a targetable strategy for the treatment of cancer by implanting radioactive isotopes or chemotherapeutic drugs in proximity to tumor cells. The drug can also be administered through iontophoresis or hyperthermia, which have been shown to increase its effectiveness.</p>

<p>N-(2,2-Dimethoxyethyl)aniline is a monoamine that is used as an ingredient in a number of drugs. It has shown to be a potent inhibitor of the dopamine transporter (DAT), but also inhibits serotonin and norepinephrine uptake. N-(2,2-Dimethoxyethyl)aniline has been shown to have anticancer effects by inhibiting the growth of tumor cells in culture, while not affecting the normal cells. This compound can bind to cancer cells and inhibit their growth by interfering with cellular functions such as replication and protein synthesis.</p>

6-Methyl-5H,6H-isoindolo[2,1-a]quinazolin-5-one is a tricyclic molecule that has the maleimide group attached to the isoindole ring. The maleimide group can react with nucleophiles in a variety of ways. 6-Methyl-5H,6H-isoindolo[2,1-a]quinazolin-5-one has been used as a reagent to produce adducts and reaction products. These adducts and reaction products have been analyzed by x-ray diffraction and molecular modeling techniques.

<p>Versatile small molecule scaffold</p>

1-Benzyl-5-chloro-2,3-dihydro-1H-indole-2,3-dione is a crystalline compound that belongs to the indole family of compounds. The 1H and 13C NMR spectra of this compound show two conformations: one with the dihedral angle alpha of -60º and the other with alpha = +60º. The crystal structure was determined by X ray diffraction and shows that this compound has an asymmetric unit. It is a planar molecule with a dihedral angle alpha = -60º that stacks on top of another molecule in the same class with an alpha angle of +60º. This stacking arrangement creates hydrogen bonds between adjacent molecules in the crystal lattice.

<p>Versatile small molecule scaffold</p>

<p>1-(Benzyloxy)-1H-1,2,3-triazole is a benzyl substituted heterocyclic compound that can be prepared by oxidative cyclization of the corresponding triazole. It has been used as an intermediate in organic chemistry and as a reagent in silicon chemistry. The benzyl group can be reduced to a phenol group with hydrochloric acid or hydrogenolysis. 1-(Benzyloxy)-1H-1,2,3-triazole can also undergo lithiation or electrophilic substitution reactions.</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

1H,2H,3H,4H-Pyrimido[4,5-b]quinoline-2,4-dione is a small molecule drug that inhibits the activity of complex enzymes. It binds to the enzyme and prevents it from performing its normal function. The compound has been shown to inhibit cancer cells in mammalian cell cultures and in animal studies. 1H,2H,3H,4H-Pyrimido[4,5-b]quinoline-2,4-dione is water soluble and can be hydrolysed by nitro groups. It has been shown to bind to aromatic hydrocarbons such as benzene and phenol. 1H,2H,3H,4H-Pyrimido[4,5-b]quinoline-2,4-dione has not yet been tested for toxicity or carcinogenicity in humans.

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<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>Versatile small molecule scaffold</p>

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold

<p>Versatile small molecule scaffold</p>

Versatile small molecule scaffold