Month: March 2022

Synthetic Route of C10H14N2O. 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 SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates. Author is Li, Bing-Yu; Voets, Lauren; Van Lommel, Ruben; Hoppenbrouwers, Fien; Alonso, Mercedes; Verhelst, Steven H. L.; De Borggraeve, Wim M.; Demaerel, Joachim.

Sulfur(VI) Fluoride Exchange (SuFEx) chem. has emerged as a next-generation click reaction, designed to assemble functional mols. quickly and modularly. Here, we report the ex situ generation of trifluoromethanesulfonyl fluoride (CF3SO2F) gas in a two chamber system, and its use as a new SuFEx handle to efficiently synthesize triflates and triflamides. This broadly tolerated protocol lends itself to peptide modification or to telescoping into coupling reactions. Moreover, redesigning the SVI-F connector with a S=O → S=NR replacement, furnished the analogous triflimidoyl fluorides as SuFEx electrophiles, which were engaged in the synthesis of rarely reported triflimidate esters. Notably, experiments showed H2O to be the key towards achieving chemoselective trifluoromethanesulfonation of phenols vs. amine groups, a phenomenon best explained-using ab initio metadynamics simulations-by a hydrogen bonded termol. transition state for the CF3SO2F triflylation of amines.

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Safety of 4-(Piperazin-1-yl)phenol. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Potent, selective, and orally active adenosine A2A receptor antagonists: Arylpiperazine derivatives of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidines. Author is Neustadt, Bernard R.; Hao, Jinsong; Lindo, Neil; Greenlee, William J.; Stamford, Andrew W.; Tulshian, Deen; Ongini, Ennio; Hunter, John; Monopoli, Angela; Bertorelli, Rosalia; Foster, Carolyn; Arik, Leyla; Lachowicz, Jean; Ng, Kwokei; Feng, Kung-I..

Antagonism of the adenosine A2A receptor offers great promise in the treatment of Parkinson’s disease. Employing the known pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine A2A antagonist SCH 58261 as a starting point, we identified the potent and selective (vs. A1) antagonist 11h (I), orally active in the rat haloperidol-induced catalepsy model. We further optimized this lead to the methoxyethoxyethyl ether 12a (SCH 420814), which shows broad selectivity, good pharmacokinetic properties, and excellent in vivo activity.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called N,N-Dialkyl-N’-Chlorosulfonyl Chloroformamidines in Heterocyclic Synthesis. Part XII.* Synthesis and Reactivity of the Pyrazolo[3,4-e][1,2,4]thiadiazine Ring System, published in 2015, which mentions a compound: 118430-78-7, mainly applied to pyrimidothiadiazine preparation; pyrazolothiadiazine preparation; dialkylchlorosulfonyl chloroformamidine aminopyrazole dinucleophilic substitution methylation alkylation, Computed Properties of C8H9N3S.

N,N-Dialkyl-N’-chlorosulfonyl chloroformamidines 1 reacted regioselectively with 1-substituted 5-aminopyrazoles 2 via a 1,3-CCN dinucleophilic substitution to afford pyrazolo[3,4-e][1,2,4]thiadiazines 3 e. g., I, as the sole isolated products. Compounds 3, representatives of a very rare ring system, were shown to possess three nucleophilic sites at N2, N4, and N6. Methylation occurred at all three sites. Alkylation with benzylic halides occurred preferentially at N2, but some also occurred at N4, and at C7a. Alkylation with Et bromoacetate occurred at both N4 and N6, but the latter derivatives underwent a pyrazole ring expansion to afford pyrimido[4,5-e][1,2,4]thiadiazine derivs, e. g., II. Compounds 3 were unreactive towards various acylating agents.

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Reference of 4-(Piperazin-1-yl)phenol. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about gem-Bisphosphonate-Ended Group Dendrimers: Design and Gadolinium Complexing Properties.

The synthesis of the first gem-bisphosphonate-ended group dendrimers is described using nucleophilic substitution of terminal P(S)Cl2 units of phosphorus dendrimers of generation 1 to 3 with protected aminophenols followed by deprotection of amino groups and Michael addition with vinylidene tetraisopropyl bisphosphonate. These dendrimers were found to act as chelating agents towards Gd ions. Contrary to the phosphonic acids that can introduce bridges between Gd ions, these synthons act as unique chelating agents toward the Gd ions. Furthermore, it appears that the number of Gd ions introduced in the isolated units is equal to the number of gem-bisphosphonate pairs. Eventually, the magnetic measurements demonstrate clearly that the Gd ions are not coordinated to these pairs as isolated ions but that at least some of these ions are bridged through oxygen atoms that are not P=O functions, as shown by the structural determination given in the paper. Studies concerning properties of these Gd dendrimers complexes are under active study. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009).

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SDS of cas: 73590-85-9. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about The mechanism of action of the antisecretory agent omeprazole. Author is Lindberg, Per; Nordberg, Peter; Alminger, Tomas; Braendstroem, Arne; Wallmark, Bjoern.

The very potent gastric antisecretory agent omeprazole (I) [73590-58-6], presently under clin. evaluation, has been shown to act via inhibition of the gastric H+, K+-ATPase, the enzyme responsible for pumping of protons into the stomach. I needs acid activation to become an active inhibitor. A tetracyclic sulfenamide (II) was isolated from the acid decomposition of I. This sulfenamide, or, alternatively, the corresponding sulfenic acid, an unstable, probable intermediate in the sulfenamide formation, is the active inhibitor formed in vivo from omeprazole.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Andonova, Lily; Valkova, Iva; Zheleva-Dimitrova, Dimitrina; Georgieva, Maya; Momekov, Georgi; Zlatkov, Alexander researched the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ).Recommanded Product: 4-(Piperazin-1-yl)phenol.They published the article 《Synthesis of New N1 Arylpiperazine Substituted Xanthine Derivatives and Evaluation of their Antioxidant and Cytotoxic Effects》 about this compound( cas:56621-48-8 ) in Anti-Cancer Agents in Medicinal Chemistry. Keywords: xanthine arylpiperazine preparation antioxidant radical scavenger cytotoxicity human; Aralkylpiperazine; QSAR; antioxidant effect; cytotoxicity; leukemia cell SKW-3; theobromine.. We’ll tell you more about this compound (cas:56621-48-8).

A series of new xanthine derivatives comprising an arylpiperazine I (R = Bn, 4-FC6H4, 2-MeOC6H4, etc.) moiety at N1 were synthesized. The cytotoxicity against human T-cell leukemia cell SKW-3, human acute myeloid leukemia HL-60 and human Bcell precursor leukemia cell REH is evaluated. The relationship between the structure and cytotoxicity of the compounds was investigated by quant. structure-activity relationship (QSAR) anal. and the important structural parameters were drawn. The purity of the substances is proven by corresponding m.ps. and elemental anal. The antioxidant activity has been evaluated by four common methods – DPPH, ABTS, FRAP and lipid peroxidation assay. The cytotoxic effects of the tested series were evaluated using the standard MTT-dye reduction assay on three tumor cell lines. The highest antioxidant activity was demonstrated by compound I (R = 4-HOC6H4). The highest cytotoxic effect was observed for compound I (R = bis(4-fluorophenyl)methyl). It was found that cytotoxicity against SKW-3 depends on the electron d. distribution in the structures. Branching of the mol. skeleton and introduction of heteroatoms like fluorine and sulfur in the structures also significantly improved the antiproliferative activity of the compounds

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Youssef, Tamer E.; Al-Turaif, Hamad; Baleanu, Dumitru published an article about the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8,SMILESS:OC1=CC=C(N2CCNCC2)C=C1 ).Name: 4-(Piperazin-1-yl)phenol. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:56621-48-8) through the article.

Zn(II)phthalocyanines bearing N-heterocycle moieties units were synthesized and characterized. Their FTIR spectroscopic data were compared to characterize the studied spectra. Fuzzy C-Means clustering technique was applied to extract some new information about these data. Hay synthesis of sym. substituted Zn phthalocyanine derivatives, [(heteroxy)8ZnPcs] (4a-e) bearing N-heterocycle moieties, i.e. Imidazol, Thiazol, Piperazine and Tetrazol rings, is reported. Their novel heterocycle-oxyphthalonitrile precursors 3a-e were synthesized by the aromatic nucleophilic substitution reaction of 4,5-dichlorophthalonitrile with hetero-substituted phenols 2a-e. The structure of the compounds was revealed by the spectroscopic anal. tools, in addition some hidden similarities of the raw spectra were revealed within the Fuzzy C-Means clustering technique.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, European Journal of Medicinal Chemistry called Design, synthesis and biological evaluation of novel pleuromutilin derivatives possessing acetamine phenyl linker, Author is Jin, Zhen; Wang, Le; Gao, Hong; Zhou, Ying-Hui; Liu, Ya-Hong; Tang, You-Zhi, which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, Safety of 4-(Piperazin-1-yl)phenol.

A series of novel acetamine Ph pleuromutilin derivatives incorporating 2-aminothiophenol moieties into the C14 side chain were synthesized via acylation reactions under mild conditions. The in vitro antibacterial activities of the synthesized derivatives against three Staphylococcus aureus (MRSA ATCC 43300, ATCC 29213 and AD 3) and two Escherichia coli (ATCC 25922 and 9-1) were evaluated by the broth dilution method. Most of the synthesized derivatives displayed potent activities. Compound I was found to be the most active antibacterial derivative against MRSA (minimal inhibitory concentration = 0.015 μg/mL) which may lead to a promising antibacterial drug. Furthermore, compound I displayed more rapid bactericidal kinetic than tiamulin in in vitro time-kill studies and possessed a longer PAE than tiamulin against MRSA. The PK properties of compound I were then measured. The half life (t1/2), clearance rate (Cl) and the area under the plasma concentration-time curve (AUC0→∞) of compound I were 6.88 h, 21.64 L/h/kg and 0.48 μg h/mL, resp. The in vivo antibacterial activities of compound I against MRSA were further evaluated using thigh infection model and systemic infection model. Compound I possessed superior antibacterial efficacy to tiamulin against MRSA infection in both model.

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Computed Properties of C10H14N2O. 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: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Studies on the Human Metabolism and the Toxicologic Detection of the Cough Suppressant Dropropizine in Urine Using Gas Chromatography-Mass Spectrometry. Author is Staack, Roland F.; Theobald, Denis S.; Maurer, Hans H..

Studies are described on the metabolism and the toxicol. anal. of the nonopioid cough suppressant dropropizine [R,S-3-(4-phenyl-1-piperazinyl)1,2-propandiol, DRO] in human urine using gas chromatog.-mass spectrometry (GC-MS). The metabolism studies showed that DRO was metabolized in humans mainly by hydroxylation of the aromatic ring, by N-dealkylation of the parent drug and of the hydroxyl-metabolite to the corresponding N-phenylpiperazines, and by degradation of the piperazine moiety. The authors’ systematic toxicol. anal. (STA) procedure using full-scan GC-MS after acid hydrolysis, liquid-liquid extraction, and microwave-assisted acetylation allowed the unambiguous detection of DRO and its above-mentioned metabolites in human urine up to about 32 h after intake of a single common therapeutic dose. The target analytes were found to be the parent compound DRO (earlier phase of excretion) and the hydroxylated metabolite para-hydroxy-DRO (later phase of excretion). Both allowed unambiguous detection of an intake of DRO and also differentiation from other phenylpiperazine derivatives

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Application of 56621-48-8. 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 Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists. Author is Malleron, Jean Luc; Comte, Marie Therese; Gueremy, Claude; Peyronel, Jean Francis; Truchon, Alain; Blanchard, Jean Charles; Doble, Adam; Piot, Odile; Zundel, Jean Luc.

A series of 2-(aminoalkyl)naphtho[1,8-cd]isothiazole 1,1-dioxides I (R = aminoalkyl) was synthesized from I (R = H) and examined in various receptor binding tests. Most compounds demonstrated high affinity for the 5-HT2 receptor with moderate to high selectivity. A member of this series, compound I [R = 3-[4-(p-fluorophenyl)piperazino]propyl] (RP 62203), displays high 5-HT2 receptor affinity (Ki = 0.26 nM), which is resp. more than 100 and 1000 times higher than its affinity for α1 (Ki = 38 nM) and D2 (Ki >1000 nM) receptors. This compound is a potent orally effective and long lasting 5-HT2 antagonist in the mescaline-induced head-twitches test in mice and rats.

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