Archives for Chemistry Experiments of 56621-48-8

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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, ACS Medicinal Chemistry Letters called Affinity-Based Selectivity Profiling of an In-Class Selective Competitive Inhibitor of Acyl Protein Thioesterase 2, Author is Won, Sang Joon; Eschweiler, Joseph D.; Majmudar, Jaimeen D.; Chong, Fei San; Hwang, Sin Ye; Ruotolo, Brandon T.; Martin, Brent R., which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, Application In Synthesis of 4-(Piperazin-1-yl)phenol.

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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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 Different strategies in electrochemical synthesis of new mono and di-substituted hydroquinone and benzoquinone, the main research direction is strategy electrochem synthesis mono di hydroquinone benzoquinone derivative.Related Products of 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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Chemical Research in 56621-48-8

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Recommanded Product: 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 Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF. Author is Elmenoufy, Ahmed H.; Gentile, Francesco; Jay, David; Karimi-Busheri, Feridoun; Yang, Xiaoyan; Soueidan, Olivier M.; Weilbeer, Claudia; Mani, Rajam S.; Barakat, Khaled H.; Tuszynski, Jack A.; Weinfeld, Michael; West, Frederick G..

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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Recommanded Product: 4-(Piperazin-1-yl)phenol. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 4-(Piperazin-1-yl)phenol, is researched, Molecular C10H14N2O, CAS is 56621-48-8, about Synthesis of New N1 Arylpiperazine Substituted Xanthine Derivatives and Evaluation of their Antioxidant and Cytotoxic Effects. Author is Andonova, Lily; Valkova, Iva; Zheleva-Dimitrova, Dimitrina; Georgieva, Maya; Momekov, Georgi; Zlatkov, Alexander.

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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Computed Properties of C10H14N2O. 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 Toxicological detection of the new designer drug 1-(4-methoxyphenyl)piperazine and its metabolites in urine and differentiation from an intake of structurally related medicaments using gas chromatography-mass spectrometry. Author is Staack, Roland F.; Maurer, Hans H..

Studies are described on the toxicol. anal. of the piperazine-derived designer drug 1-(4-methoxyphenyl)piperazine (MeOPP) in rat urine using gas chromatog.-mass spectrometry (GC-MS). The authors’ systematic toxicol. anal. (STA) procedure using full-scan GC-MS after acid hydrolysis, liquid-liquid extraction and microwave-assisted acetylation allowed the detection of MeOPP and its metabolites 1-(4-hydroxy phenyl)piperazine and 4-hydroxyaniline in rat urine after administration of a single dose corresponding to doses commonly taken by drug users. Therefore, this procedure should also be suitable for detection of a MeOPP intake in human urine. However, the metabolites of MeOPP are not unique and can be produced from other drugs. Therefore, differentiation of use of this designer drug from use of the medicaments dropropizine, oxypertine or others, which are metabolized to the MeOPP isomer 1-(2-methoxyphenyl)piperazine, is discussed.

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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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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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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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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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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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