Month: April 2022

Synthetic Route of C17H19N3O2S. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about Catalytic Asymmetric Synthesis of Esomeprazole by a Titanium Complex with a Hexa-aza-triphenolic Macrocycle Ligand. Author is Song, Weiguo; Dong, Liangjun; Zhou, Yuhan; Fu, Yongqiang; Xu, Wenfang.

An efficient synthesis of esomeprazole I via catalytic asym. oxidation of 1H-benzimidazolyl pyridinylmethyl sulfide by a titanium complex with a hexa-aza-triphenolic macrocycle ligand is described. Esomeprazole was prepared with 99.6% ee, which meets the high requirement of the European Pharmacopeia on enantiomeric purity.

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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, Indian Journal of Heterocyclic Chemistry called Synthesis of substituted 2-aminobenzothiazoles as non-acidic antiinflammatory agents, Author is Velingkar, V. S.; Ahire, D. C.; Koihe, N. S.; Shidore, M. S., which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, COA of Formula: C10H14N2O.

The title compounds were synthesized and characterized by spectral anal. (IR, 1H NMR, mass spectroscopy). The effect of the synthesized compounds on inflammation, using the carrageenan induced mouse paw edema model was studied. In general, the compounds were found to be potent antiinflammatory agents. Antiinflammatory activity was influenced by some structural characteristics of the synthesized compounds

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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.Formula: C10H14N2O.Hayatshahi, Hamed S.; Luedtke, Robert R.; Taylor, Michelle; Chen, Peng-Jen; Blass, Benjamin E.; Liu, Jin published the article 《Factors Governing Selectivity of Dopamine Receptor Binding Compounds for D2R and D3R Subtypes》 about this compound( cas:56621-48-8 ) in Journal of Chemical Information and Modeling. Keywords: dopamine receptor selectivity D2R D3R ligand binding. Let’s learn more about this compound (cas:56621-48-8).

Targeting the D3 dopamine receptor (D3R) is a promising pharmacotherapeutic strategy for the treatment of many disorders. The structure of the D3R is similar to the D2 dopamine receptor (D2R), especially in the transmembrane spanning regions that form the orthosteric binding site, making it difficult to identify D3R selective pharmacotherapeutic agents. Here, the authors examine the mol. basis for the high affinity D3R binding and D3R vs. D2R binding selectivity of substituted phenylpiperazine thiopheneamides. Removing the thiophenearylamide portion of the ligand consistently decreases the affinity of these ligands at D3R, while not affecting their affinity at the D2R. The authors’ long (>10μs) mol. dynamics simulations demonstrated that both dopamine receptor subtypes adopt two major conformations that the authors refer to as closed or open conformations, with D3R sampling the open conformation more frequently than D2R. The binding of ligands with conjoined orthosteric-allosteric binding moieties causes the closed conformation to populate more often in the trajectories. Also, significant differences were observed in the extracellular loops (ECL) of these two receptor subtypes leading to the identification of several residues that contribute differently to the ligand binding for the two receptors that could potentially contribute to ligand binding selectivity. The authors’ observations also suggest that the displacement of ordered water in the binding pocket of D3R contributes to the affinity of the compounds containing an allosteric binding motif. These studies provide a better understanding of how a bitopic mode of engagement can determine ligands that bind selectively to D2 and D3 dopamine receptor subtypes.

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Ether – Wikipedia,
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Electric Literature of C10H14N2O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. 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. Author is Nematollahi, Davood; Khazalpour, Sadegh; Amani, Amene.

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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Ether – Wikipedia,
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Category: ethers-buliding-blocks. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Dependence of mechanisms to thermodynamics in the electrochemical study of different electrophiles in the presence of some sulfur nucleophiles. Author is Beiginejad, Hadi; Rafiee, Zeinab.

Abstract: Electrochem. study of different electrophiles in the presence of p-toluenesulfinic acid and 2-mercaptobenzothiazole as sulfur nucleophiles was investigated. Mechanistic study of the electrochem. reactions indicates that the electrochem. oxidation of some species in the presence of the sulfur groups has different mechanisms, but some other species in the presence of both sulfur nucleophiles have the same mechanism. To explain the reason for this difference, the computational study was used. Thermodn. investigation shows that when ΔGtot of the electrochem. oxidation of products are less than that of initial species, the electrochem. produced species can be oxidized during controlled-potential coulometry. The results of this work indicate that the computational study can be used to justify the reaction mechanisms. Cyclic voltammetry, linear sweep voltammetry, and controlled-potential coulometry were used to obtain the exptl. results. Also, by the use of BP86 level of theory and 6-31 + G(d,p) basis set, the theor. data were obtained.

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Ether – Wikipedia,
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Recommanded Product: 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 Modifications to five-substituted 3,3-diethyl-4,5-dihydro-2(3H)-furanones en route to novel muscarinic receptor ligands. Author is Bhandare, Richie R.; Canney, Daniel J..

Lead lactone-based ligands with modest affinity for muscarinic receptors were modified based on structure-activity relationship data in the literature to provide a new series of 5-substituted 4,5-dihydro-2(3H)-furanones. The modifications included the addition of various nitrogen-containing heterocycles attached to substituted and unsubstituted aromatic rings. The target compounds, e.g. I, were synthesized in modest yields and evaluated in preliminary muscarinic binding assays. A lactone-based ligand containing a diphenylmethylpiperazine moiety was identified as a nonselective muscarinic ligand with IC50 of 340 nM. The design of future ligands will be based, in part, on structure-activity data reported herein.

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Ether – Wikipedia,
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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 Quantitative structure-hepatotoxicity assessment of series arylpiperazine-N1-substituted theobromine derivatives, published in 2020-02-29, which mentions a compound: 56621-48-8, Name is 4-(Piperazin-1-yl)phenol, Molecular C10H14N2O, Product Details of 56621-48-8.

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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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 Syntheses and radiofluorination of two derivatives of 5-cyano-indole as selective ligands for the dopamine subtype-4 receptor, published in 2006-01-31, which mentions a compound: 56621-48-8, Name is 4-(Piperazin-1-yl)phenol, Molecular C10H14N2O, Application In Synthesis of 4-(Piperazin-1-yl)phenol.

Two fluoroethoxy derivatives, namely 2-{4-[2-(2-fluoroethoxy)phenyl]piperazin-1-ylmethyl}indole-5-carbonitrile (I) and 2-{4-[4-(2-fluoroethoxy)phenyl]piperazin-1-ylmethyl}indole-5-carbonitrile (II) were synthesized as analogs of the selective D4 receptor ligand 2-[4-(4-fluorophenyl)piperazin-1-ylmethyl]indole-5-carbonitrile (FAUC 316). In vitro characterization using CHO-cells expressing different dopamine receptor subtypes gave Ki = 2.1 and 9.9 nM of I and II, resp., for the dopamine D4 subtype and displayed a 420-fold D4-selectivity over D2 receptors for II. Candidate II revealed substantially reduced α1 and serotoninergic binding affinities in comparison to I. To provide potential PET imaging probes for the dopamine D4 receptor, 18F-labeling conditions using [18F]fluoroethyl tosylate were optimized and led to radiochem. yields of 81 ± 5% (18F-I) and 47 ± 4% (18F-II) (n = 3, decay-corrected, referred to labeling agent), resp. Thus, 18F-fluoroethylation favorably at the para position of the phenylpiperazine moiety of the 5-cyanoindole framework proved to be tolerated by D4 receptors and could also be applied to alternative scaffolds to develop D4 radioligand candidates for PET with improved D4 receptor affinity and selectivity.

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Ether – Wikipedia,
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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, Journal of Medicinal Chemistry called Synthesis, Radiofluorination, and In Vitro Evaluation of Pyrazolo[1,5-a]pyridine-Based Dopamine D4 Receptor Ligands: Discovery of an Inverse Agonist Radioligand for PET, Author is Prante, Olaf; Tietze, Rainer; Hocke, Carsten; Loeber, Stefan; Huebner, Harald; Kuwert, Torsten; Gmeiner, Peter, which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, Name: 4-(Piperazin-1-yl)phenol.

A series of fluoro-substituted analogs structurally derived from the aminomethyl-substituted pyrazolo[1,5-a]pyridine lead compounds FAUC 113 and FAUC 213 were synthesized and evaluated as high-affinity D4 receptor (D4R) ligands (Ki = 1.3-28 nM). The para-fluoroethoxy-substituted derivatives I and II revealed an outstanding D4 subtype selectivity of more than 3 orders of magnitude over both congeners D2 and D3 combined with inverse agonism at D4R. The corresponding 18F-labeled radioligands revealed high serum stability in vitro and log P values of 2-3. In vitro rat brain autoradiog. showed specific binding of [18F]-II in distinct brain regions, including the gyrus dentate of the hippocampus, that were inhibited by both eticlopride (65-80%) and the selective D4R antagonist 10 (78-93%). The observed binding pattern was mainly consistent with the known D4R distribution in the rat brain. Thus, [18F]-II (FAUC F41) represents a potential radioligand for studying the D4R in vivo by positron emission tomog. (PET).

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Ether – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 4-(Piperazin-1-yl)phenol(SMILESS: OC1=CC=C(N2CCNCC2)C=C1,cas:56621-48-8) is researched.HPLC of Formula: 175543-06-3. The article 《Modifications to five-substituted 3,3-diethyl-4,5-dihydro-2(3H)-furanones en route to novel muscarinic receptor ligands》 in relation to this compound, is published in Medicinal Chemistry Research. Let’s take a look at the latest research on this compound (cas:56621-48-8).

Lead lactone-based ligands with modest affinity for muscarinic receptors were modified based on structure-activity relationship data in the literature to provide a new series of 5-substituted 4,5-dihydro-2(3H)-furanones. The modifications included the addition of various nitrogen-containing heterocycles attached to substituted and unsubstituted aromatic rings. The target compounds, e.g. I, were synthesized in modest yields and evaluated in preliminary muscarinic binding assays. A lactone-based ligand containing a diphenylmethylpiperazine moiety was identified as a nonselective muscarinic ligand with IC50 of 340 nM. The design of future ligands will be based, in part, on structure-activity data reported herein.

In some applications, this compound(56621-48-8)Formula: C10H14N2O is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Reference:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem