Tag: M.W=100-200

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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Category: ethers-buliding-blocks. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H9N3S, CAS is 118430-78-7, about 5-Aminopyrazoles as Dienophiles in the Inverse Electron Demand Diels-Alder Reactions of 2,4,6-Tris(ethoxycarbonyl)-1,3,5-triazine: Syntheses of Pyrazolopyrimidines. Author is Dang, Qun; Brown, Brian S.; Erion, Mark D..

[4 + 2] Cycloaddition reactions of 2,4,6-tris(ethoxycarbonyl)-1,3,5-triazine with 5-aminopyrazoles are reported. This methodol. is suitable for the one-step synthesis of highly substituted pyrazolo[3,4-d]pyrimidines.

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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.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.

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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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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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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.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.

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,
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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.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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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: 118430-78-7, is researched, Molecular C8H9N3S, about Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors, the main research direction is antitumor PARP1 inhibitor pyrazolo pyridinone preparation SAR.Formula: C8H9N3S.

A novel class of PARP-1 inhibitors was identified containing a non-aromatic heterocycle or carbocycle fused to a pyrazolo pyridin-2-one. Compounds displayed low nanomolar binding activity in the PARP-1 binding assay and submicromolar activity in a cell based chemosensitization assay.

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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,
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Computed Properties 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 Electrochemical Synthesis of a New Derivative of 1,4-Dihydroxybenzene: Embedded Nucleophile in the Structure of Electrophile. Author is Goodarzi, Hassan; Asghari, Alireza; Amani, Ameneh; Rajabi, Maryam; Nematollahi, Davood; Khazalpour, Sadegh.

The electrochem. oxidation of 4-(Piperazin-1-yl)phenols (1a,b) was studied in the H2O, MeCN and nitromethan by cyclic voltammetry and controlled-potential coulometry. P-quinone-imines generated of oxidation 4-(Piperazin-1-yl)phenols after the hydrolysis reaction participate in Michael-addition reactions with released piperazine of hydrolysis reaction of p-quinone imines. The present work led to the development of a facile and environmentally friendly electrochem. method for the synthesis of a new derivative of 1,4-dihydroxybenzene under green conditions. The effect of H2O as a solute on the electrochem. response of 4-(Piperazin-1-yl)phenols (1a,b) was examined in the MeCN (AN) and nitromethane (NM) solvent.

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