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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: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ) is researched.Computed Properties of C10H14N2O.Nematollahi, Davood; Momeni, Shima; Khazalpour, Sadegh published the article 《Different strategies in electrochemical synthesis of new mono and di-substituted hydroquinone and benzoquinone》 about this compound( cas:56621-48-8 ) in Electrochimica Acta. Keywords: strategy electrochem synthesis mono di hydroquinone benzoquinone derivative. Let’s learn more about this compound (cas: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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Formula: C10H14N2O. 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 Electrochemical oxidation of 4-(piperazin-1-yl)phenol in the presence of aryl sulfinic acids.

Electrochem. oxidation of 4-(piperazin-1-yl)phenol was studied in the presence of aryl sulfinic acids as nucleophiles in EtOH/H2O mixture (10/90) using cyclic voltammetry and controlled-potential coulometry methods. The electrochem. generated p-quinone-imine participates in Michael type addition reaction with aryl sulfinic acids and via an EC mechanism converts to the new 2-(phenylsulfonyl)-4-(piperazin-1-yl)phenol derivatives The present work led to the development of a facile and environmentally friendly electrochem. method for the synthesis of some new 2-(phenylsulfonyl)-4-(piperazin-1-yl)phenol derivatives under green conditions.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. 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 main research direction is gem bisphosphonate terminated dendrimer gadolinium complex magnetic property; piperazino gem bisphosphonate functionalized gadolinium complex crystal structure.Safety of 4-(Piperazin-1-yl)phenol.

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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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 Searching for multi-target antipsychotics: Discovery of orally active heterocyclic N-phenylpiperazine ligands of D2-like and 5-HT1A receptors.Category: ethers-buliding-blocks.

The authors described herein the design, synthesis, and pharmacol. evaluation of N-phenylpiperazine heterocyclic derivatives as multi-target compounds potentially useful for the treatment of schizophrenia. The isosteric replacement of the heterocyclic ring at the biaryl motif generating pyrazole, 1,2,3-triazole, and 2-methylimidazole[1,2-a]pyridine derivatives resulted in 21 analogs with different substitutions at the para-biaryl and para-phenylpiperazine positions. Among the compounds prepared, 4 (LASSBio-579) and 10 (LASSBio-664) exhibited an adequate binding profile and a potential for schizophrenia pos. symptoms treatment without cataleptogenic effects. Structural features of this mol. scaffold are discussed regarding binding affinity and selectivity for D2-like, 5-HT1A, and 5-HT2A receptors.

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Garcia-Sosa, Alfonso T.; Maran, Uko published an article about the compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine( cas:118430-78-7,SMILESS:NC1=CC(C2=CC=CS2)=NN1C ).Reference of 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine. 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:118430-78-7) through the article.

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

There is still a lot of research devoted to this compound(SMILES：NC1=CC(C2=CC=CS2)=NN1C)Reference of 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, and with the development of science, more effects of this compound(118430-78-7) can be discovered.

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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, Research Support, Non-U.S. Gov’t, Bioorganic & Medicinal Chemistry called Discovery of a new potent inhibitor of mushroom tyrosinase (Agaricus bisporus) containing 4-(4-hydroxyphenyl)piperazin-1-yl moiety, Author is De Luca, Laura; Germano, Maria Paola; Fais, Antonella; Pintus, Francesca; Buemi, Maria Rosa; Vittorio, Serena; Mirabile, Salvatore; Rapisarda, Antonio; Gitto, Rosaria, which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, Computed Properties of C10H14N2O.

Tyrosinase (TYR, EC 1.14.18.1) plays a pivotal role in mammalian melanogenesis and enzymic browning of plant-derived food. Therefore, tyrosinase inhibitors (TYRIs) can be of interest in cosmetics and pharmaceutical industries as depigmentation compounds as well as anti-browning agents. Starting from 4-benzylpiperidine derivatives that showed good inhibitory properties toward tyrosinase from Agaricus bisporus (TyM), we synthesized a new series of TYRIs named 3-(4-benzyl-1-piperidyl)-1-(4-phenylpiperazin-1-yl)propan-1-one and 2-(4-benzyl-1-piperidyl)-1-(4-phenylpiperazin-1-yl)ethanone derivatives Among them, compound 4b proved to be the most potent inhibitor (IC50 = 3.80μM) and it also showed a good antioxidant activity. These new data furnished addnl. information about the SAR for this class of TYRIs.

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Kondeva-Burdina, Magdalena; Valkova, Iva; Andonova, Lily; Georgieva, Maya; Tzankova, Virginia; Zlatkov, Alexander published the article 《Quantitative structure-hepatotoxicity assessment of series arylpiperazine-N1-substituted theobromine derivatives》. Keywords: arylpiperazinylalkyl theobromine preparation hepatotoxicity.They researched the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ).Synthetic Route of C10H14N2O. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:56621-48-8) here.

In this work series new theobromines, compounds I [R = benzyl, 4-hydroxyphenyl, bis(4-fluorophenyl)methyl, etc.; n = 3,4] with established antioxidant and antiproliferative activities were evaluated for their hepatotoxic effects on cellular and sub-cellular level. On isolated rat hepatocytes, compounds I [R = 4-hydroxyphenyl, n = 3,4] expressed lowest toxicity, while compounds I [R = bis(4-fluorophenyl)methyl, n = 3,4] showed highest toxicity. Compounds I [R = bis(4-fluorophenyl)methyl, n = 3,4] showed the most evident pro-oxidant effect in a lipid peroxidation model on rat liver microsomes, followed by compounds I [R = 4-fluorophenyl, n = 3,4], while the other compounds didn’t reveal statistically significant pro-oxidant effects. The performed quant. structure-toxicity relationship (QSTR) anal. show that increased lipophilicity of the tested compounds pos. correlates to their hepatotoxicity. Opposite, the presence in the structure of highly pos. H-atoms and strongly neg. oxygen, possibly originating from hydrogen bond donor groups, are associated with reduced hepatotoxicity.

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Ether – Wikipedia,
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Reference of 4-(Piperazin-1-yl)phenol. 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 Structure-Activity Relationships for Itraconazole-Based Triazolone Analogues as Hedgehog Pathway Inhibitors. Author is Pace, Jennifer R.; Teske, Kelly A.; Chau, Lianne Q.; Dash, Radha Charan; Zaino, Angela M.; Wechsler-Reya, Robert J.; Hadden, M. Kyle.

The Food and Drug Administration-approved antifungal agent, itraconazole (ITZ), has been increasingly studied for its novel biol. properties. In particular, ITZ inhibits the hedgehog (Hh) signaling pathway and has the potential to serve as an anticancer chemotherapeutic against several Hh-dependent malignancies. We have extended our studies on ITZ analogs as Hh pathway inhibitors through the design, synthesis, and evaluation of novel des-triazole ITZ analogs that incorporate modifications to the triazolone/side chain region of the scaffold. Our overall results suggest that the triazolone/side chain region can be replaced with various functionalities (hydrazine carboxamides and meta-substituted amides) resulting in improved potency when compared to ITZ. Our studies also indicate that the stereochem. orientation of the dioxolane ring is important for both potent Hh pathway inhibition and compound stability. Finally, our studies suggest that the ITZ scaffold can be successfully modified in terms of functionality and stereochem. to further improve its anti-Hh potency and physicochem. properties.

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Synthetic Route of C10H14N2O. 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 SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates.

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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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.Gomes, Tatiana F.; Pompeu, Thais E. T.; Rodrigues, Daniel A.; Noel, Francois; Menegatti, Ricardo; Andrade, Carolina H.; Sabino, Jose R.; Gil, Eric S.; Dalla Costa, Teresa; Betti, Andresa H.; Antonio, Camila B.; Rates, Stela M. K.; Fraga, Carlos A. M.; Barreiro, Eliezer J.; de Oliveira, Valeria researched the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ).Category: ethers-buliding-blocks.They published the article 《Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound》 about this compound( cas:56621-48-8 ) in European Journal of Medicinal Chemistry. Keywords: antipsychotic resistance LASSBio579 organic synthesis phydroxylated metabolite biosynthesis redox; crystal structure LASSBio579 metabolite CYP1A2 enzymic hydroxylation pharmacokinetics hematotoxicity; mol dynamics simulation docking structure LASSBio579 metabolism antipsychotic schizophrenia. We’ll tell you more about this compound (cas:56621-48-8).

Using a combination of docking and mol. dynamics simulations, we predicted that p-hydroxylation by CYP1A2 would be the main metabolic pathway for the 1-[1-(4-chlorophenyl)-1H-4pyrazolylmethyl] phenylhexahydropiperazine, LASSBio-579. As the result of a screening process with strains of filamentous fungi, Cunninghamella echinulata ATCC 9244 was chosen to scale up the preparation of the p-hydroxylated metabolite. About 30 min after i.p. administration of LASSBio-579 to rats was identified as the p-hydroxylated metabolite, confirming our in silico previsions. Chem. synthesis of the metabolite was performed and allowed its pharmacol. evaluation in binding assays revealing its high affinity for D2 and D4 receptors, indicating that this metabolite should participate to the antipsychotic effect of LASSBio-579 in vivo. Furthermore, we report here that both LASSBio-579 and its p-hydroxylated metabolite have a much lower affinity than clozapine for two receptors involved in adverse reactions. Voltammetric assays were useful to understand the redox profile of LASSBio-579.

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