Month: April 2022

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, Clinical Trial, Comparative Study, Article, Therapeutic Drug Monitoring called 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., which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, HPLC of Formula: 56621-48-8.

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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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 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, the main research direction is pyrazolopyrimidine preparation; cycloaddition ethoxycarbonyltriazine aminopyrazole; triazine trisethoxycarbonyl cycloaddition aminopyrazole; pyrazole amino cycloaddition trisethoxycarbonyltriazine.Electric Literature of C8H9N3S.

[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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Erdag, E. published an article about the compound: 4-(Piperazin-1-yl)phenol( cas:56621-48-8,SMILESS:OC1=CC=C(N2CCNCC2)C=C1 ).Synthetic Route of C10H14N2O. 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.

In this study, indole-based 4-substituted piperazine derivatives I [R = Me, 4-BrC6H4, 4-HOC6H4, 4-F3C6H4, etc.] were synthesized via Mannich reaction with microwave assisted synthesis and the conventional reflux heating method. Microwave assisted synthesis was more preferable than reflux method since the microwave irradiation lead to a higher product yields with better purity and improved energy efficiency with shortened reaction time. The structures of 3-substituted indole derivatives I were characterized by FT-IR, elemental anal., 1H NMR and 13C NMR spectroscopy.

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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.COA of Formula: C10H14N2O. 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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COA of Formula: C10H14N2O. 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 Conformational analysis of 1-arylpiperazines and 4-arylpiperidines. Author is Dijkstra, Gerard D. H..

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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Application In Synthesis of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about Whole-cell oxidation of omeprazole sulfide to enantiopure esomeprazole with Lysinibacillus sp. B71. Author is Babiak, Peter; Kyslikova, Eva; Stepanek, Vaclav; Valesova, Renata; Palyzova, Andrea; Maresova, Helena; Hajicek, Josef; Kyslik, Pavel.

Production of enantiopure esomeprazole by biocatalysis is of great demand by pharmaceutical industry. A Gram-pos. bacterium oxidizing omeprazole sulfide (5-methoxy-2-[((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)thio]-1H-benzoimidazole) to (S)-sulfoxide esomeprazole (S)-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl) methylsulfinyl]-3H-benzoimidazole was isolated from soil polluted with elemental sulfur. The strain exhibited the highest identity with the genus Lysinibacillus and catalyzed oxidation of 1a into enantiopure esomeprazole with conversion of 77% in a stirred bioreactor, fed-batch culture. No consecutive oxidation of (S)-sulfoxide to sulfone was observed during whole-cell catalysis. The unique characteristics of the catalyst provide a solid basis for further improvement and development of sustainable green bioprocess.

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Ether – Wikipedia,
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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.Wallmark, Bjorn; Brandstrom, Arne; Larsson, Hakan researched the compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole( cas:73590-85-9 ).Recommanded Product: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole.They published the article 《Evidence for acid-induced transformation of omeprazole into an active inhibitor of proton-potassium ATPase within the parietal cell》 about this compound( cas:73590-85-9 ) in Biochimica et Biophysica Acta, Biomembranes. Keywords: omeprazole ATPase inhibition parietal cell; ulcer therapy omeprazole metabolism ATPase. We’ll tell you more about this compound (cas:73590-85-9).

The chem. reactions of omeprazole (I) [73590-58-6], leading to inhibition of gastric acid secretion, were investigated. In acid buffer solutions, omeprazole was found to be labile, whereas at physiol. pH it was stable (t1/2 > 17 h at pH 7.4). The stability of omeprazole was also studied in isolated, acid producing, gastric glands under conditions where acid formation was either stimulated or inhibited. The rate of transformation of omeprazole was high (t1/2 ≈ 3 min) under stimulation. Inhibition of acid formation in the gland greatly retarded the decomposition of omeprazole (t1/2 ≈ 73 min). The time-course for inhibition of acid formation by omeprazole was parallel to that for decomposition The major product formed from omeprazole was the reduced form, H 168/22 (II) [73590-85-9]. The inhibitory action of omeprazole was shown to depend on acid-induced transformation, since no inhibition was obtained when omeprazole was incubated under neutral conditions, both in the isolated gastric mucosal- and the (H+ + K+)-ATPase  [9000-83-3] preparations Despite the fact that H 168/22 was the major product formed in the glandular preparation, it was found to be virtually inactive in both the glandular and (H+ and K+)-ATPase preparations Therefore, a model is proposed in which the inhibition of acid formation by omeprazole is mediated by a compound formed during the reduction of omeprazole to H 168/22 within the acid compartments of the parietal cell. Furthermore, mercaptans, such as β-mercaptoethanol, were found to prevent as well as reverse inhibition by omeprazole in both the glandular- and (H+ + K+)-ATPase preparations This indicates that -SH groups are most likely involved in the chem. reactions leading to inhibition of acid secretion.

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Application In Synthesis of 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 Platinum(II) dithiocarbamate complexes [Pt(S2CNR2)Cl(PAr3)] as anticancer and DNA-damaging agents. Author is Kashif Amir, Muhammad; Hogarth, Graeme; Khan, Zaibunisa; Imran, Muhammad; Zia-ur-Rehman.

Following the fortunate discovery of cisplatin as an anticancer drug the search for new effective Pt-containing analogs with high potency but reduced side effects and resistance is of great importance. Herein, we report four new monofunctional platinum(II) dithiocarbamate complexes, [Pt(S2CNR2)Cl(PAr3)], and their activity against selected cancer cell lines. DFT-optimized structures reveal steric hindrance, similar to phenanthriplatin, from an axial C-H site of the triarylphosphine. High activity against selected cancer cell lines, MCF-7 > LU > Hepa-IcIc7, can be attributed to the axial protection offered by the aromatic C-H moiety, together with the lipophilicity and formation of bulkier and more hydrophobic DNA adducts. DNA binding, denaturing and plasmid cleavage studies demonstrate their potential to cleave DNA via electrostatic or covalent interactions. DFT and exptl. studies show the ability to replace chloride with different nucleophiles; substitution with smaller nucleophiles being fast while with larger nucleophiles is slow.

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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: C17H19N3O2S. The article 《Synthesis of propargylamine mycophenolate analogues and their selective cytotoxic activity towards neuroblastoma SH-SY5Y cell line》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry Letters. Let’s take a look at the latest research on this compound (cas:56621-48-8).

Twenty six propargylamine mycophenolate analogs were designed and synthesized from mycophenolic acid 1 employing a key step A3-coupling reaction. Their cytotoxic activity was examined against six cancer cell lines. Four compounds exhibited selective cytotoxicity towards neuroblastoma (SH-SY5Y) cancer cells and were less toxic to normal cells in comparison to the lead compound, MPA 1 and a standard drug, ellipticine. Mol. docking results suggested that compound I is fit well in the key amino acid of three proteins (CDK9, EGFR, and VEGFR-2) as targets in cancer therapy. The propargylamine mycophenolate scaffold might be a valuable starting point for development of new neuroblastoma anticancer drugs.

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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 Direct HPLC enantioseparation of omeprazole and its chiral impurities: Application to the determination of enantiomeric purity of esomeprazole magnesium trihydrate, published in 2010-09-05, which mentions a compound: 73590-85-9, Name is 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, Molecular C17H19N3O2S, Formula: C17H19N3O2S.

Anal. and semipreparative high-performance liquid chromatog. (HPLC) enantioseparation of the proton-pump inhibitor omeprazole (OME) and its potential organic chiral impurities were accomplished on the immobilized-type Chiralpak IA chiral stationary phase (CSP) under both polar organic and normal-phase conditions. The (S)-enantiomers were isolated with a purity of >99% ee and their absolute configuration was empirically assigned by CD spectroscopy. A chemo- and enantioselective HPLC method was validated to control the enantiomeric purity of the (S)-enantiomer of OME (ESO), an active ingredient contained in drug products, in the presence of chiral and achiral related substances. The precision, linearity and accuracy of the determination of the (R)-impurity as well as the recovery of ESO from a pharmaceutical preparation were determined The proposed method uses the mixture Me tert-butylether (MtBE)-Et acetate (EA)-EtOH (EtOH)-diethylamine (DEA) 60:40:5:0.1 (volume/volume/volume/volume) as a mobile phase. In these conditions, linearity over the concentration range 0.5-25 μg/mL for (R)-enantiomer was obtained. The limits of detection and quantification were 99 and 333 ng/mL, resp. The intra and inter-day assay precision was <2% (RSD%). This literature about this compound(73590-85-9)Formula: C17H19N3O2Shas given us a lot of inspiration, and I hope that the research on this compound(5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole) can be further advanced. Maybe we can get more compounds in a similar way.

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