Building Blocks

Versatile small molecule scaffold

Versatile small molecule scaffold

2-Methyl-1-phenylbutane-1,3-dione is a chemical intermediate that belongs to the group of alkyl bromides. It is used as an herbicide and a pesticide, and can be reduced to 2-methyl-2-(4'-bromophenyl)pentanal by reductive cleavage with chlorine. The reduction of 2-methyl-1-phenylbutane-1,3-dione by hydrogen gas leads to the diastereoisomers 2-(4'-bromophenyl)-2-(2'-methylpropionyl)pentanal and 3-(4'-bromophenyl)-2-(2'-methylpropionyl)pentanal. The former is a chiral molecule that can be used as a medicine for high blood pressure, while the latter has been shown to be effective against microbial strains such as Escherichia coli and Candida albicans.

Versatile small molecule scaffold

Versatile small molecule scaffold

Dichloropyridazine-3,6-diol is a furan derivative that has been shown to act as an inhibitor of the oxidative deamination of pyridine. It is also a nucleophilic reagent with a chlorine atom and two hydroxylamine groups in its structure. The carbonyl oxygen atom and the cyclic carbonyl group are both susceptible to oxidation and can be used to form chlorides. Dichloropyridazine-3,6-diol is resistant to acid chlorides such as thionyl chloride or phosphoric acid. This compound undergoes dehydration reactions with carboxylic acids and chlorides, yielding the corresponding carboxylate or chloride.

2-Methyl-1,2,3,4-tetrahydroquinoxaline is an enantioselective antioxidant that has been shown to have a chiral conformation. It has also been found to be a catalyst in the reductive elimination of hydrochloric acid. This compound can be hydrogenated by catalytic hydrogenation and this reaction produces tetralin as a by-product. 2-Methyl-1,2,3,4-tetrahydroquinoxaline is used in research because it contains a methyl group and amines that are important for biological functions.

3,5-Diamino-4-methylbenzoic acid is a chemical compound with the formula C6H3N3O2. It is an organic nitrite that reacts readily with nucleophiles such as alcohols, phenols, and amines to form the corresponding N-substituted benzoic acid. The reaction proceeds via a two step process in which 3,5-diamino-4-methylbenzoic acid first reacts with sodium nitrite to produce 3,5-diamino-4-nitrobenzoic acid followed by hydrolysis of this intermediate to form the desired product. Nitrite salts are used in the food industry as preservatives and antimicrobials. They can be applied as a gas or dissolved in water. Nitrite salts are also used for wastewater treatment and for environmental remediation.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

N-Phenylpivalamide is an asymmetric synthesis that is a reaction yield of activated secondary amine and alkylsulfonyl chloride. The effective dose of n-phenylpivalamide is 0.01 mg/kg and the chloride ion, nitrogen atoms, and amines are all reactive functional groups. The nmr spectra show that this compound has stereoisomers.

Propanebis(imidamide) dihydrochloride is a drug that inhibits the enzyme guanylate cyclase. It is used to treat cardiovascular disorders, such as angina pectoris and hypertension. Propanebis(imidamide) dihydrochloride has been shown to inhibit the kinase, cyclase, and phosphodiesterase enzymes. This inhibition leads to an increase in the levels of cyclic guanosine monophosphate (cGMP). As a result, blood vessels are dilated, which reduces blood pressure and heart rate. The drug also increases the levels of intracellular cGMP by inhibiting protein kinase G. Propanebis(imidamide) dihydrochloride can be administered orally or intravenously.

2,6-Dichlorophenylisothiocyanate is a chloride that is used to treat tuberculosis. It is a prodrug that is hydrolyzed in the body to form 2-amino-3-chloropyrazine and imidazoles which are active against Mycobacterium tuberculosis and Mycobacterium avium complex. 2,6-Dichlorophenylisothiocyanate can be administered orally as well as intravenously. It has been shown to have tuberculostatic activity in animal models of experimental tuberculosis. The mechanism of action for this drug is not fully understood, but it may be due to its ability to inhibit protein synthesis by binding to bacterial ribosomes.

The compound 2-(thiophen-2-yl)-2,3-dihydro-1H-perimidine has been found to exhibit potent acetylcholinesterase (AChE) inhibitory activity. AChE is the target of organophosphate and carbamate insecticides and nerve agents. The inhibition study revealed that 2-(thiophen-2-yl)-2,3-dihydro-1H-perimidine binds to the active site of AChE with a strong binding affinity. The crystal structures of this molecule have been determined by x-ray crystallography, which revealed that it has a dipole moment. This molecule was also found to have an absorbance at frequencies in the fingerprint region, which can be used for identification purposes. The theory behind its structure was determined by vibrational spectroscopy techniques as well as analyses of its crystal structures.

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

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Phthaloyl-L-alanine is a molecule with a hydrochloric acid group and a carbonyl group. It has been shown to have the ability to bind to peptidyl molecules and immobilize them, leading to an inhibition of the reaction mechanism. This process can be induced by enzymatic inactivation or by hydrogen bonding with chloride. The cisplatin-induced apoptosis of cancer cells has been demonstrated using patch-clamp technique on human erythrocytes. Caspases are proteins that are activated during apoptosis and have been found to interact with Phthaloyl-L-alanine in vitro. Molecular modeling studies suggest that Phthaloyl-L-alanine may inhibit caspases by binding to the enzyme's active site.

10-Nitro oleic acid is a nitro compound that has been shown to have a low binding affinity for DNA. It has been shown to induce reactive oxygen species (ROS) in cells, which may be caused by its ability to bind to the response element of the promoter region of an interferon-induced gene. In addition, 10-Nitro oleic acid also binds to single-stranded RNA and induces protein thiols. The polymerase chain reaction (PCR) technique has been used to detect 10-Nitro oleic acid in rat urine and human erythrocytes. 10-Nitro oleic acid is not active against human polymorphonuclear leukocytes or human mdr1 cells; however, it is active against kidney injury cells and chronic liver diseases cells.

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2-Naphthol is an organic compound with the chemical formula C10H7O. It is a derivative of naphthalene, and is produced by the condensation of two molecules of malonic acid in the presence of a reducing agent such as sodium borohydride. 2-Naphthol is used as a pesticide and as a chemical intermediate in the production of other chemicals. 2-Naphthol has been shown to be toxic to humans and animals; it may cause liver damage, kidney damage, and skin irritation. The acute oral LD50 for rats is 690 mg/kg body weight. 2-Naphthol binds to cell receptors that are involved in a variety of physiological processes including heme transport, phagocytosis, oxidative burst, chemotaxis, and respiratory burst. This binding inhibits these functions leading to cell death.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

JMS-17-2 is a small molecule that was shown to have a potent and selective inhibitory effect on the production of chemokines in cancer cells. It blocks the interaction between CXCL12 and its receptor, CXCR4. This interaction is important for normal bone tissue development and function, as well as for chemotaxis and metastasis of cancer cells. JMS-17-2 has been shown to prevent tumor growth in animal models by inhibiting angiogenesis, or the formation of new blood vessels to supply nutrients to tumors. The drug also inhibits tumor growth by decreasing the number of primary tumors, reducing bone lesions, and inhibiting the progression of pancreatic cancer. Clinical trials are currently being conducted to assess the efficacy of JMS-17-2 in humans with advanced solid tumors.

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Versatile small molecule scaffold

Phenylhydrazine is a white crystalline solid with a molecular weight of 150.25, and the molecular formula C6H5NHN. It is soluble in water, alcohol, ether and chloroform. Phenylhydrazine can react with an acid chloride to form a hydrazone; this reaction is used in the synthesis of some pharmaceuticals. The most common use of phenylhydrazine is as a precursor to various pharmaceuticals, such as antipyretics and anti-inflammatory agents. Phenylhydrazine reacts with zinc chloride to form 1-(5-methyl-1H-pyrazol-4-yl)ethanone.

Versatile small molecule scaffold

Versatile small molecule scaffold

2-(Chloromethyl)-3,5-dioxahex-1-ene is a synthetic compound that belongs to the group of piperidine compounds. It is a nucleophile and a primary amine that reacts with carbonyl compounds in an efficient method. This reaction is stereoselective and produces the corresponding 2-(chloromethyl)-3,5-dioxahex-1-enes. The chloride ion can be replaced by other nucleophiles such as methoxymethyl or amines. The malonate ester can also be used for this reaction.
2-(Chloromethyl)-3,5-dioxahex-1-ene has been shown to react with phenylacetonitrile and chloride ions to produce alkylated products such as 2-(chloromethyl)-3,5-dioxahexanenitrile or 2-(chloromethyl)-4,6-diox

N-(2-Amino-phenyl)-isonicotinamide is a compound that has various characteristics and potential applications. It has been studied for its interaction with dopamine, as well as its ability to react with methanol and hydrogen atoms. This compound also exhibits amide properties and has been investigated in the development of DNA vaccines. Additionally, it has shown cytotoxic effects on multidrug-resistant cells and demonstrated potential as a catalyst in reactions involving diphenyl ether and guanidine. Furthermore, N-(2-Amino-phenyl)-isonicotinamide has been explored in research related to ornithine, tripterygium, ammonium salts, and tetrachloride. Its diverse characteristics make it an intriguing compound for further study and potential applications.

Versatile small molecule scaffold

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2,4-Dichloro-3-nitroquinoline is a chemotherapeutic drug that belongs to the class of epidermal growth factor receptor (EGFR) inhibitors. This agent has anticancer activity against cells in the G1 phase of the cell cycle and may also have some antiproliferative effects on tumor cells. 2,4-Dichloro-3-nitroquinoline binds to EGFR and inhibits the binding of epidermal growth factor (EGF) to its receptor. This binding causes the activation of downstream signaling pathways that regulate cell proliferation. Computer modeling has been used to determine how this compound interacts with other molecules such as hydrogen bonds, nucleophilic substitution, and organic solvents.

4-Chloro-2-nitrotoluene is a chemical compound that is a nitro derivative of toluene. It is a white crystalline solid with the formula CHClNO. 4-Chloro-2-nitrotoluene has been shown to have constant boiling point, vibrational frequency and zirconium content at constant pressure. The thermodynamic properties of this compound are also constant, with values for free energy and entropy being -28.5 and 115.5 respectively. The molecule can be described by the functional theory, which states that it contains one nitro group and one monocarboxylic acid group in its molecular structure. 4-Chloro-2-nitrotoluene can be optimised using computational methods such as databases or molecular modeling software where it can be introduced into other molecules to form new compounds.BR>BR> 4-Chloro-2-nitrotoluene (CH

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Versatile small molecule scaffold

Versatile small molecule scaffold

2-Chloro-4-(chloromethyl)thiazole is a coplanar molecule with torsion and dihedral angles. It has an IUPAC name of 2-chloro-4-(chloromethyl)thiazole, but is also known as CMT or 2,4-dichlorotriazole.

Versatile small molecule scaffold

2-(4-Bromophenyl)-2-oxoacetaldehyde (BPOD) is a molecule that can be synthesized by reacting benzonitrile with thiazolone. BPOD is an acetylation and benzoylation substrate, which makes it useful for the preparation of fatty acids and glyoxal. BPOD has been used as a reactive intermediate in the synthesis of other molecules, such as phenylacetic acid, 2-chloro-4-nitrobenzoyl chloride, and 1,3-dichloroacetone. The reaction of BPOD with proton gives 2-(4-bromophenyl)-2-hydroxyethanal. This reaction is catalyzed by electrolysis or by chromatography.
BPOD also reacts with glyoxal to form 2-(4-bromophenyl)-2-(2,3-dihydroxypropoxy)acetaldehyde (BPPD).

N-Methylbenzenesulfonamide is a molecule that belongs to the class of sulfonamides. It is a colorless liquid with a strong, unpleasant odor. It has been used in the synthesis of ethylene, iodides, and chloroform. N-Methylbenzenesulfonamide has been shown to exhibit potent cardiac activity at high concentrations and has been used as an experimental drug for the treatment of heart conditions. The rate constant for its second-order reaction with hydrogen chloride was determined to be 0.0169/sec at 25°C using cellulose acetate as the substrate. N-Methylbenzenesulfonamide is a stable molecule that will not react with other molecules until it reaches temperatures over 300 degrees Celsius or solvents such as water or alcohols. This chemical also interacts with most other molecules except for those containing nitrogen or oxygen atoms.

Versatile small molecule scaffold

{1-Azabicyclo[2.2.2]octan-3-yl}methanol is a dehydrating agent that is used in the production of many organic and inorganic chemicals, such as chlorides, alcohols, amines, ethers, and thiols. This chemical has been shown to react with alkali metals to produce hydrogen chloride gas. It has also been used as an antihistaminic and for dehydrating reactions. {1-Azabicyclo[2.2.2]octan-3-yl}methanol can be used to manufacture hydrogen chloride gas by reacting with sodium hydroxide or potassium hydroxide at high temperatures. The reaction product is then dehydrated to form hydrochloric acid (HCl).

Versatile small molecule scaffold

Dimethyl glutaconate is a reactive, tautomeric compound. It has shown to have a cross-linking effect on DNA, which may be useful in the treatment of tumors. Dimethyl glutaconate inhibits tumor growth by inhibiting the activity of topoisomerase II and III enzymes, which are involved in DNA replication. The inhibition of these enzymes leads to increased strand breakage and degradation of DNA.
As an anticancer agent, dimethyl glutaconate has been shown to inhibit the proliferation of various types of cancer cells including those found in breast, prostate and colon cancers. It also binds to purine derivatives such as adenine and guanine, which are essential for nucleotide synthesis. This binding prevents their incorporation into DNA or RNA molecules and inhibits nucleic acid production.

1-Chloro-4-(2-nitro-vinyl)-benzene is a colorless liquid that is soluble in organic solvents. It is used as a dehydrating agent and can be used to synthesize nitromethane by reacting with sodium methoxide in the presence of nitrogen gas. 1-Chloro-4-(2-nitro-vinyl)-benzene is stable at room temperature and has an environmental impact that is low. This compound can also be used as a catalyst for other reactions, such as the conversion of nitrobenzene to aniline.

Trans-4-methyl-beta-nitrostyrene is a quinoline derivative that is used as an intermediate in the synthesis of other compounds. It has been shown to be an efficient method for inducing gene expression and regulating cellular response in animals. Trans-4-methyl-beta-nitrostyrene induces tyrosine kinase activity and telomerase activity, which are important in cell proliferation and tumor growth. This compound also activates downstream signal transduction pathways such as those mediated by epidermal growth factor receptor (EGFR). Trans-4-methyl-beta-nitrostyrene can be used to induce gene expression and regulate cellular response in animals. The compound also activates downstream signal transduction pathways such as those mediated by epidermal growth factor receptor (EGFR).

Versatile small molecule scaffold

1-Phenylazetidin-2-one is a diastereomer of zinc acetate. It is activated by refluxing with concentrated hydrochloric acid and then treated with carbon dioxide to form the chloride. The chloride is heated in an open vessel with a solvent such as benzene, toluene, xylene, chloroform, or dichloromethane for about three hours until it becomes a deep red color. The 1-phenylazetidin-2-one is isolated from the reaction mixture by recrystallization from methanol and water. This compound has shown anticancer activity by binding to the toll-like receptor 4 (TLR4) on tumor cells and inhibiting the production of inflammatory cytokines. Its interaction with cholesterol may be due to its ability to inhibit HMG-CoA reductase activity in rats.

[(1-aminocyclohexyl)methyl]amine is a white crystalline solid that is soluble in water, alcohol, and ether. It has a pKb of 2.5 and decomposes at 240°C. [(1-aminocyclohexyl)methyl]amine is an unsymmetrical molecule with two phenyl groups. This compound has been shown to catalyze the reaction between cyclohexanone and hydrophilic inorganic compounds, such as hydrochloric acid or potassium hydroxide, to form alkali metal cyclohexanones. [(1-aminocyclohexyl)methyl]amine also has antitumor activity by causing DNA damage and inhibiting protein synthesis in cancer cells.
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