Category: 56621-48-8

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 Design, synthesis and antibacterial evaluation of novel pleuromutilin derivatives possessing piperazine linker.

A series of pleuromutilin derivatives bearing piperazine ring have been reported. The in vitro antibacterial activities of the synthetic derivatives against MRSA (ATCC 43300), Staphylococcus aureus (ATCC 29213), Enterococcus faecalis (ATCC 29212), Enterococcus faecium (ATCC35667) and Escherichia coli (ATCC25922) were evaluated by the broth dilution method. Most of the synthesized derivatives displayed potent activities. Compounds 11c, 12a and 12c were found to be the most active antibacterial derivatives against MRSA (min. inhibitory concentration = 0.015 μg/mL). The binding of compounds 11c, 12a and 12c (I – III, resp.) to the 50s ribosome were investigated by mol. modeling. Compound 11c possessed lower binding free energy compared with compounds 12a and 12c. Compound 11c was further evaluated in MRSA systemic infection model and displayed superior in vivo efficacy to that of tiamulin.

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

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.Synthetic Route of C10H14N2O. The article 《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》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:56621-48-8).

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,
Ether | (C2H5)2O – PubChem

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.Reference of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole. The article 《Thermodynamic study of the electrochemical oxidation of some aminophenol derivatives: Experimental and theoretical investigation》 in relation to this compound, is published in Electrochimica Acta. Let’s take a look at the latest research on this compound (cas:56621-48-8).

Electrochem. oxidation of some aminophenol derivatives (1-5) was studied both exptl. and theor. Exptl. results were obtained using cyclic voltammetry and controlled potential coulometry. The theor. results were calculated at DFT (B3LYP and BP86) levels of theory and 6-311 + G (p,d) basis sets. Using a general thermodn. cycle, the calculated ΔGtot of the oxidation of the studied aminophenol derivatives indicates that thermodn. is one of the important parameters on the potential oxidation Electrochem. oxidation potential of 1-5 is directly dependent on the ΔGtot of electrochem. oxidation In addition mechanisms of the electrochem. oxidation of 4-(piperazin-1-yl) phenol (6) in the presence of various nucleophiles was studied in viewpoint of the thermodn. Mechanistic study of the electrochem. oxidation of 6 in the presence of different nucleophiles indicates that although the electrochem. oxidations of 6H+ in the presence of different nucleophiles have different mechanisms but proceed in the thermodynamically favored directions.

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

Safety 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 New N,S-substituted dienes from mono(thio)substituted-2-nitrohalo-1,3-diene and some amines. Author is Ibis, Cemil; Kirbaslar, F.; Aydinli, Goeksin.

1-(4-Methoxyphenylthio)-2-nitro-1,3,4,4-tetrachloro-1,3-butadiene, (I) reacted with piperazine derivatives and yielded N,S-substituted chloronitrodienes in methylene chloride. Compound I gave dioxaspiro-piperidinyl-substituted chloronitrodiene by the reaction with 1,4-dioxa-8-azaspiro-4,5-decane. 4-Substituted piperidinyl chloronitrodiene derivatives were obtained by the reactions of piperidines with I. 1-(4-Methoxyphenylthio)-2-nitro-1-(4-(p-nitrophenyl)piperazin-1-yl)-1,3,4,4-tetrachloro-1,3-butadiene also was structurally characterized using single-crystal X-ray diffraction anal. [triclinic, P-1, a 7.8400(2), b 9.7030(3), c 16.9628(4) Å, α 93.898(3), β 93.879(2), γ 96.9296(13)°, V 1260.67(6) Å3, Z 2].

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

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.Category: ethers-buliding-blocks. The article 《Design, synthesis and antibacterial evaluation of novel pleuromutilin derivatives possessing piperazine linker》 in relation to this compound, is published in European Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:56621-48-8).

A series of pleuromutilin derivatives bearing piperazine ring have been reported. The in vitro antibacterial activities of the synthetic derivatives against MRSA (ATCC 43300), Staphylococcus aureus (ATCC 29213), Enterococcus faecalis (ATCC 29212), Enterococcus faecium (ATCC35667) and Escherichia coli (ATCC25922) were evaluated by the broth dilution method. Most of the synthesized derivatives displayed potent activities. Compounds 11c, 12a and 12c were found to be the most active antibacterial derivatives against MRSA (min. inhibitory concentration = 0.015 μg/mL). The binding of compounds 11c, 12a and 12c (I – III, resp.) to the 50s ribosome were investigated by mol. modeling. Compound 11c possessed lower binding free energy compared with compounds 12a and 12c. Compound 11c was further evaluated in MRSA systemic infection model and displayed superior in vivo efficacy to that of tiamulin.

Here is just a brief introduction to this compound(56621-48-8)Computed Properties of C10H14N2O, more information about the compound(4-(Piperazin-1-yl)phenol) is in the article, you can click the link below.

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

Application of 56621-48-8. 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,
Ether | (C2H5)2O – PubChem

Application In Synthesis of 4-(Piperazin-1-yl)phenol. 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 Design and development of 1,3,5-triazine derivatives as protective agent against spinal cord injury in rat via inhibition of NF-kB. Author is Guan, Binggang; Jiang, Chang.

Spinal cord injury (SCI) is a chronic disease causing motor and sensory loss in the affected individuals. The SCI has a huge impact on the lives of patients that makes them susceptible to life-long disability. However, the current clin. modalities are ineffective to cope the aftermath of SCI. Thus, in the present study, we aimed to develop a series of 1,3,5-triazine derivatives I (R = Cl, Br, Me, O2N, HO, MeO) as a protective agent against SCI. The mols. were developed by facile synthetic route and obtained in excellent yield. The compounds were tested for their efficacy to inhibit the transcription of NF-κB in RAW 264.7 cells, where they displayed mild to potent activity. I (R = Cl) was identified as most potent NF-κB inhibitor among the tested analogs. The effect of I (R = Cl) was further scrutinized against the SCI injury in rats induced by contusion injury. It has been found that I (R = Cl) improves motor function of rats together with reduction in inflammation and edema in spinal cord of rats. It also showed to inhibit oxidative stress and inflammation in the SCI rats. In a western blot anal., after SCI induction, I (R = Cl) inhibited NF-κB and its upstream regulator TLR4 in a dose-dependent manner. Collectively, our study provides a novel class of agent that provide protective action against SCI.

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

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.Formula: C8H9ClN2OS. The article 《Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:56621-48-8).

The ERCC1-XPF heterodimer is a 5′-3′ structure-specific endonuclease, which plays an essential role in several DNA repair pathways in mammalian cells. ERCC1-XPF is primarily involved in the repair of chem. induced helix-distorting and bulky DNA lesions, such as cyclobutane pyrimidine dimers (CPDs), and DNA interstrand cross-links. Inhibition of ERCC1-XPF has been shown to potentiate cytotoxicity of platinum-based drugs and cyclophosphamide in cancer cells. In this study, the previously described ERCC1-XPF inhibitor 4-((6-chloro-2-methoxyacridin-9-yl)amino)-2-((4-methylpiperazin-1-yl)methyl)phenol (compound 1) was used as a reference compound Following the outcome of docking-based virtual screening (VS), we synthesized seven novel derivatives of 1 that were identified in silico as being likely to have high binding affinity for the ERCC1-XPF heterodimerization interface by interacting with the XPF double helix-hairpin-helix (HhH2) domain. Two of the new compounds, 4-((6-chloro-2-methoxyacridin-9-yl)amino)-2-((4-cyclohexylpiperazin-1-yl)methyl)phenol (compound 3) and 4-((6-chloro-2-methoxyacridin-9-yl)amino)-2-((4-(2-(dimethylamino)ethyl) piperazin-1-yl) methyl) phenol (compound 4), were shown to be potent inhibitors of ERCC1-XPF activity in vitro. Compound 4 showed significant inhibition of the removal of CPDs in UV-irradiated cells and the capacity to sensitize colorectal cancer cells to UV radiation and cyclophosphamide.

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

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.Computed Properties of C10H14N2O. The article 《Synthesis of novel WAY 100635 derivatives containing a norbornene group and radiofluorination of [18F]AH1.MZ as a serotonin 5-HT1A receptor antagonist for molecular imaging》 in relation to this compound, is published in Journal of Labelled Compounds and Radiopharmaceuticals. Let’s take a look at the latest research on this compound (cas:56621-48-8).

5-HT1A receptors are involved in a variety of psychiatric disorders and in vivo mol. imaging of the 5-HT1A status represents an important approach to analyze and treat these disorders. We report herein the synthesis of three new fluoroethylated 5-HT1A ligands (AH1.MZ, AH2.MZ and AH3.MZ) as arylpiperazine derivatives containing a norbornene group. AH1.MZ (Ki = 4.2 nM) and AH2.MZ (Ki = 30 nM) showed reasonable in vitro affinities to the 5-HT1A receptor, whereas AH3.MZ appeared to be non-affine toward the 5-HT1A receptor. The receptor profile of AH1.MZ and AH2.MZ showed selectivity within the 5-HT system. 18F-labeling via [18F]FETos to [18F]AH1.MZ was carried out in radiochem. yields of > 70%. The final formulation of injectable solutions including [18F]FETos synthon synthesis, radiosynthesis and semipreparative high-performance liquid chromatog. (HPLC) separation took no longer than 130 min and provided [18F]AH1.MZ with a purity of >98% as indicated by anal. HPLC analyses.

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

Won, Sang Joon; Eschweiler, Joseph D.; Majmudar, Jaimeen D.; Chong, Fei San; Hwang, Sin Ye; Ruotolo, Brandon T.; Martin, Brent R. 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.

Activity-based protein profiling (ABPP) has revolutionized the discovery and optimization of active-site ligands across distinct enzyme families, providing a robust platform for in-class selectivity profiling. Nonetheless, this approach is less straightforward for profiling reversible inhibitors and does not access proteins outside the ABPP probe’s target profile. While the active-site competitive acyl protein thioesterase 2 (APT2) inhibitor ML349 (Ki = 120 nM) is highly selective within the serine hydrolase enzyme family, it could still interact with other cellular targets. Here we present a chemoproteomic workflow to enrich and profile candidate ML349-binding proteins. In human cell lysates, biotinylated-ML349 enriches a recurring set of proteins, including metabolite kinases and flavin-dependent oxidoreductases that are potentially enhanced by avidity-driven multimeric interactions. Confirmatory assays by native mass spectrometry and fluorescence polarization quickly rank-ordered weak off-targets, providing justification to explore ligand interactions and stoichiometry beyond ABPP.

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