Month: March 2022

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Electrochemical oxidation of acetaminophen and 4-(piperazin-1-yl)phenols in the presence of 4-hydroxy-1-methyl-2(1H)-quinolone.Category: ethers-buliding-blocks.

A facile and 1-pot electrochem. method for the synthesis of mono and disubstituted 1,4-benzoquinones generated from the electrochem. oxidation of 1-(4-(4-hydroxyphenyl)piperazin-1-yl)ethanone (1a), 4-(piperazin-1-yl)phenol (1b) and acetaminophen (8) in the presence of 4-hydroxy-1-methyl-2(1H)-quinolone (3) as nucleophile is reported. The electrochem. generated electrophiles derived from the oxidation of 1a, 1b and 8 participate in Michael-addition reactions with 3. The authors report the synthesis of mono and diquinolone substituted of 1,4-benzoquinone in good yields based on controlled potential condition at C electrode in a divided cell.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Synthesis of propargylamine mycophenolate analogues and their selective cytotoxic activity towards neuroblastoma SH-SY5Y cell line.Recommanded Product: 56621-48-8.

Twenty six propargylamine mycophenolate analogs were designed and synthesized from mycophenolic acid 1 employing a key step A3-coupling reaction. Their cytotoxic activity was examined against six cancer cell lines. Four compounds exhibited selective cytotoxicity towards neuroblastoma (SH-SY5Y) cancer cells and were less toxic to normal cells in comparison to the lead compound, MPA 1 and a standard drug, ellipticine. Mol. docking results suggested that compound I is fit well in the key amino acid of three proteins (CDK9, EGFR, and VEGFR-2) as targets in cancer therapy. The propargylamine mycophenolate scaffold might be a valuable starting point for development of new neuroblastoma anticancer drugs.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 73590-85-9, is researched, Molecular C17H19N3O2S, about Oxygen dependence of omeprazole clearance and sulfone and sulfide metabolite formation in the isolated perfused rat liver, the main research direction is omeprazole metabolism liver oxygen dependence.Related Products of 73590-85-9.

This study, in the isolated perfused rat liver, examined the O dependence of the hepatic elimination of omeprazole, a drug which undergoes extensive oxidative metabolism in the rat. The relationship between hepatic O supply and the production of omeprazole’s oxidative sulfone and reductive sulfide metabolites was also examined Rat livers were perfused with a perfusate containing 5 μg omeprazole/mL in a single-pass design. Omeprazole clearance and the formation clearance of the 2 metabolites were measured in each liver during normal oxygenation, at different levels of hypoxia and after reoxygenation. There was a linear relationship between omeprazole clearance and O delivery over the whole range studied. Production of the sulfone was similarly O-dependent whereas the sulfide was detectable only after a significant reduction in oxygenation. In further experiments the O dependence of omeprazole clearance was not altered when the concentration of drug was lowered to 1 μg/mL. This study shows that O delivery is a critical determinant of the rate of oxidative drug metabolism in the isolated liver and supports the contention that reductions in hepatic O supply may alter the hepatic disposition of oxidatively metabolized drugs in vivo.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Discovery of small molecules that inhibit melanogenesis via regulation of tyrosinase expression, published in 2012-11-15, which mentions a compound: 56621-48-8, Name is 4-(Piperazin-1-yl)phenol, Molecular C10H14N2O, Category: ethers-buliding-blocks.

5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole derivatives were synthesized and evaluated as a novel class of inhibitors for α-MSH (α-MSH) induced melanogenesis in a mouse melanoma B16F10 cell line. Three of the compounds (IC50 = 0.67 μM), (IC50 = 1.01 μM) and (IC50 = 0.99 μM) exhibited a potent inhibitory activity approx. 85- to 126-fold greater than kojic acid, a well-known potent inhibitor. A biochem. study indicates that the activity of this series should be displayed via down-regulation of the expression of tyrosinase.

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Application of 118430-78-7. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H9N3S, CAS is 118430-78-7, about Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets. Author is Garcia-Sosa, Alfonso T.; Maran, Uko.

A delicate balance exists between a drug mol.’s toxicity and its activity. Indeed, efficacy, toxicity, and side effect problems are a common cause for the termination of drug candidate compounds and development projects. To address this, an antitarget interaction profile is built and combined with virtual screening and cross docking for new inhibitors of HIV-1 integrase, in order to consider possible off-target interactions as early as possible in a drug or hit discovery program. New ranking techniques using triangular numbers improve ranking information on the compounds and recovery of known inhibitors into the top compounds using different docking programs. This improved ranking arises from using consensus of ranks between docking programs and ligand efficiencies to derive a new rank, instead of using absolute score values, or average of ranks. The triangular number rerank also allowed the objective combination of results from several protein targets or screen conditions and several programs. Triangular number reranking conserves more information than other reranking methods such as average of scores or averages of ranks. In addition, the use of triangular numbers for reranking makes possible the use of thresholds with a justified leeway based on the number of available known inhibitors, so that the majority of the compounds above the threshold in ranks compare to the compounds that have known exptl. determined biol. activity. The battery of anti- or off-targets can be tailored to specific mol. or drug design challenges. In silico filters can thus be deployed in successive stages, for prefiltering, activity profiling, and for further anal. and triaging of libraries of compounds

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Safety of 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H9N3S, CAS is 118430-78-7, about Studies on dihydropyridines. II. Synthesis of 4,7-dihydropyrazolo[3,4-b]pyridines with vasodilating and antihypertensive activities. Author is Adachi, Ikuo; Yamamori, Teruo; Hiramatsu, Yoshiharu; Sakai, Katsunori; Sato, Hatsuo; Kawakami, Masaru; Uno, Osamu; Ueda, Motohiko.

A series of 4-aryl-4,7-dihydropyrazolo[3,4-b]pyridine-5-carboxylate derivatives I (R = Me, Ph, cyclopentyl; R1 = Me, Et, CHMe2, cyclohexyl, substituted phenethyl, etc.; R2 = 2-O2NC6H4, 3-O2NC6H4, 2-ClC6H4, 2.8-Cl2C6H4, pyridyl; R3 = H, Me, CHMe2, Ph, cycloalkyl, CO2Et, pyridyl, etc.) was prepared and the compounds were tested for Ca-blocking activity in isolated guinea pig portal vein, antihypertensive activity in spontaneously hypertensive rats, and coronary vasodilating effect in isolated guinea pig heart. A number of derivatives had potent antihypertensive and coronary vasodilating activities. The structure-activity relationships of the series indicated that a 3-cyclopentyl or 3-cyclohexyl substituent and a hydrophobic 5-ester moiety with moderate bulkiness were effective for increasing the pharmacol. potencies.

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Application of 56621-48-8. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Synthesis of cycloalkylcarbamoyl substituted ketoconazole derivatives as antifungal agents. Author is Ryu, Seong-Ryuall.

In an effort to prepare new antifungal agents, two new title derivatives I (R = cyclopropyl, cyclohexyl) were synthesized by the reaction of substituted piperazine II with N-cycloalkylcarbamoyl derivatives ClCH2CONHR.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole( cas:73590-85-9 ) is researched.Recommanded Product: 73590-85-9.El-Kousy, Naglaa M.; Bebawy, Lories I. published the article 《Stability-indicating methods for determining omeprazole and octylonium bromide in the presence of their degradation products》 about this compound( cas:73590-85-9 ) in Journal of AOAC International. Keywords: stability spectrophotometry omeprazole octylonium bromide determination; degradation omeprazole octylonium bromide determination TLC; densitometry degradation omeprazole octylonium bromide determination; chromatog densitometry degradation omeprazole octylonium bromide determination. Let’s learn more about this compound (cas:73590-85-9).

Four stability-indicating assays were developed for determining omeprazole and octylonium bromide. Omeprazole was photodegraded and determined in the presence of its degradation products omeprazole sulfenimide and benzimidazole sulfide by 2 methods. The first method depends on use of first-, second-, and third-derivative spectrophotometry at 290.4, 320.6, and 311.6 nm, resp. The second method was based on applying the charge-transfer technique with chloranil as π acceptor to form a complex with omeprazole, the absorbance of which is measured at 377 nm. These methods determined omeprazole in concentration ranges of 5-20 μg/mL by first-, second-, and third-derivative spectrophotometry and 10-50 μg/mL by charge-transfer complexation with mean accuracies of 99.92, 99.71, 99.64, and 100.24%, resp. Octylonium bromide was determined by a TLC-densitometric method using in the presence of its degradation products p-[2-(n-octyoxy)benzoyl]aminobenzoic acid and diethyl-(2-hydroxyethyl)methylammonium bromide without any interferences. Alternatively, octylonium bromide was evaluated by a colorimetric method using the acid dye Rose Bengal. The ion pair formed was extracted in chloroform at pH 4, and its absorbance was measured at 562 nm. These methods determine octylonium bromide in the presence of its degradation products in concentration ranges of 0.1-0.5 μg/μL by densitometry and 4.5-22.5 μg/mL by colorimetry, with mean accuracies of 100.21 and 99.73%, resp. The suggested methods were used to determine drugs in bulk powder, laboratory-prepared mixtures, and pharmaceutical dosage forms. Results were compared statistically with those obtained with reference methods.

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Safety of 4-(Piperazin-1-yl)phenol. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Acaricidal properties of piperazine and its derivatives against house-dust and stored-food mites. Author is Lee, Chi-Hoon; Kim, Hyung-Wook; Lee, Hoi-Seon.

Piperazine derivatives possess pharmacol. properties, yet the acaricidal activity of these compounds has not been investigated. This study was conducted to evaluate the color alteration and acaricidal activity of piperazine derivatives against Dermatophagoides spp. and Tyrophagus putrescentiae using filter paper and fumigant methods. In a fumigant bioassay, 1-phenylpiperazine (7.83 μg/cm2) against D. farinae was found to be 4.7-fold more toxic than DEET (36.84 μg/cm2), followed by benzyl benzoate (9.72 μg/cm2), piperazine (11.41 μg/cm2), 1-ethoxycarbonylpiperazine (20.14 μg/cm2), and 1-(2-methoxyphenyl)piperazine (22.14 μg/cm2). In a filter paper bioassay, 1-(2-methoxyphenyl)piperazine (3.65 μg/cm2) was 5.7-fold more toxic than DEET (20.64 μg/cm2), followed by 1-ethoxycarbonylpiperazine (4.02 μg/cm2), 1-phenylpiperazine (4.75 μg/cm2), benzyl benzoate (7.83 μg/cm2), and piperazine (10.59 μg/cm2). Similar results have been exhibited with piperazine derivatives against D. pteronyssinus. However, no activity against T. putrescentiae was observed for piperazine derivatives, except for piperazine. These results indicate that piperazine derivatives may be suitable as vapor-phase acaricide fumigants owing to their high volatility, acaricidal activity and safety. 1-Phenylpiperazine was found to be an excellent mite indicator based on the color change it induced. Taken together, these findings indicate that piperazine derivatives may be used to replace existing problematical acaricides owing to their activity and ability to act as a mite indicator.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Different strategies in electrochemical synthesis of new mono and di-substituted hydroquinone and benzoquinone, published in 2014-11-20, which mentions a compound: 56621-48-8, Name is 4-(Piperazin-1-yl)phenol, Molecular C10H14N2O, Recommanded Product: 56621-48-8.

Electrochem. syntheses of 2-indolyl-5-arylsulfonyl-p-benzoquinone derivatives were carried out in two successive oxidation steps. The 1st involves the oxidation of hydroquinone, 4-(piperazin-1-yl)-phenol and 1-(4-(4-hydroxyphenyl)-piperazin-1-yl) ethanone in the presence of arylsulfinic acids as nucleophiles. The authors’ voltammetric data indicate that electrochem. generated p-benzoquinone participates in Michael addition reaction with arylsulfinic acids leading to the 2-(arylsulfonyl) benzene-1,4-diols. The 2nd consists of the oxidation of 2-(arylsulfonyl) benzene-1,4-diols in the presence of 1,2-dimethylindole and the formation of 2-indolyl-5-arylsulfonyl-p-benzoquinone derivatives as the final products. A plausible mechanism for the synthesis of 2-indolyl-5-arylsulfonyl-p-benzoquinone derivatives is also presented.

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