Category: 56621-48-8

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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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.Application In Synthesis of 4-(Piperazin-1-yl)phenol.Neves, Gilda; Menegatti, Ricardo; Antonio, Camila B.; Grazziottin, Luiza R.; Vieira, Renan O.; Rates, Stela M. K.; Noel, Francois; Barreiro, Eliezer J.; Fraga, Carlos A. M. published the article 《Searching for multi-target antipsychotics: Discovery of orally active heterocyclic N-phenylpiperazine ligands of D2-like and 5-HT1A receptors》 about this compound( cas:56621-48-8 ) in Bioorganic & Medicinal Chemistry. Keywords: heterocyclic phenylpiperazine preparation D2 HT1A receptor ligand antipsychotic. Let’s learn more about this compound (cas:56621-48-8).

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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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 Synthesis and bioevaluation of 4,5,6,7-tetrahydrobenzo[d]isoxazole derivatives as melanogenesis inhibitors. Author is Song, Jiho; Lee, Kiho; Kim, Doran; Kim, Jongmin; Lee, Seul; Shin, Jun Seob; Kim, Dong-Seok; Min, Kyung Hoon.

A series of 4,5,6,7-tetrahydrobenzo[d]isoxazole derivatives I [R1 = H, tert-butyl; R2 = 4-OH, 4-OMe, 2-OMe, 4-CF3, 4-F] was prepared via amide coupling of arylpiperazines with corresponding 4,5,6,7-tetrahydrobenzo[d]isoxazole carboxylic acid chlorides. Addnl., 4,5,6,7-tetrahydrobenzo[d]isoxazole derivative I [R1 = H; R2 = 4-OEt] was synthesized by O-alkylation of compound I [R1 = H; R2 = 4-OH] using iodoethane. The synthesized compounds were tested for their melanogenesis inhibiting activity through potential down-regulation of tyrosinase expression. Among the tested compounds, compounds I [R1 = H; R2 = 4-OMe, 2-OMe, 4-CF3] displayed better melanogenesis inhibiting activity than well-known compounds Arbutin and Kojic acid, without intrinsic cytotoxicity.

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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 《New N,S-substituted dienes from mono(thio)substituted-2-nitrohalo-1,3-diene and some amines》 in relation to this compound, is published in Phosphorus, Sulfur and Silicon and the Related Elements. Let’s take a look at the latest research on this compound (cas:56621-48-8).

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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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you 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, mainly applied to arylpiperazinylalkyl theobromine preparation hepatotoxicity, Formula: C10H14N2O.

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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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 Conformational analysis of 1-arylpiperazines and 4-arylpiperidines.Quality Control of 4-(Piperazin-1-yl)phenol.

A conformational anal. of 1-arylpiperazines and 4-arylpiperidines is presented using mol.-mechanics and semi-empirical calculations Electronic effects of substituents on the aryl ring determine the conformational behavior of 1-arylpiperazines. Steric effects play a minor role. Electron-withdrawing substituents on the aryl moiety increase the conjugation between the anilino nitrogen lone pair and the π electrons of the aryl group and direct the orientation between the aryl and heterocycle towards the same plane. Electron-releasing substituents have the opposite effect and reduce the energy difference between a coplanar and perpendicular orientation between the rings. 4-Arylpiperidines prefer a perpendicular orientation between the rings.

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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.Application In Synthesis of 4-(Piperazin-1-yl)phenol.Andonova, Lily; Valkova, Iva; Zheleva-Dimitrova, Dimitrina; Georgieva, Maya; Momekov, Georgi; Zlatkov, Alexander 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.. Let’s learn 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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Malleron, Jean Luc; Comte, Marie Therese; Gueremy, Claude; Peyronel, Jean Francis; Truchon, Alain; Blanchard, Jean Charles; Doble, Adam; Piot, Odile; Zundel, Jean Luc published the article 《Naphthosultam derivatives: a new class of potent and selective 5-HT2 antagonists》. Keywords: naphtosultam preparation receptor binding; antagonist 5HT2 naphtosultam; naphthoisothiazole dioxide aminoalkyl.They researched the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8 ).HPLC of Formula: 56621-48-8. 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.

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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SDS of cas: 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 Discovery of novel pyrazole derivatives as a potent anti-inflammatory agent in RAW264.7 cells via inhibition of NF-kB for possible benefit against SARS-CoV-2. Author is Masih, Anup; Agnihotri, Amol K.; Srivastava, Jitendra K.; Pandey, Nidhi; Bhat, Hans R.; Singh, Udaya P..

Due to unavailability of a specific drug/vaccine to attenuate severe acute respiratory syndrome coronavirus 2, the current strategy to combat the infection has been largely dependent upon the use of anti-inflammatory drugs to control cytokines storm responsible for respiratory depression. Thus, in this study, we discovered novel pyrazole analogs as a potent nuclear factor kappa B (NF-κB) inhibitor. The compounds were assessed for NF-κB transcriptional inhibitory activity in RAW264.7 cells after stimulation with lipopolysaccharides (LPS), revealing Compound 6c as the most potent analog among the tested series. The effect of Compound 6c was further investigated on the levels of interleukin-1β, tumor necrosis factor-α, and interleukin-6 in LPS-stimulated RAW267.4 cells by enzyme immunoassay, where it causes a significant reduction in the level of these cytokines. In Western blot anal., Compound 6c also causes the inhibition of inhibitor kappa B-α and NF-κB. It was found to be snugly fitted into the inner grove of the active site of NF-κB by forming H-bonds and a nonbonded interaction with Asn28 in a docking anal.

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