Category: ethers-buliding-blocks

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 Identification of new omeprazole metabolites in wastewaters and surface waters, published in 2014-01-15, which mentions a compound: 73590-85-9, mainly applied to omeprazole metabolite wastewater surface water urine analysis sample pollution; Metabolites; Omeprazole; Time-of-flight mass spectrometry; Triple quadrupole mass spectrometry; Urine; Water samples, Application In Synthesis of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole.

Omeprazole is 1 of the world-wide most consumed pharmaceuticals for treatment of gastric diseases. As opposed to other frequently used pharmaceuticals, omeprazole is scarcely detected in urban wastewaters and environmental waters. This was corroborated in a previous research, where parent omeprazole was not detected while 4 transformation products (TPs), mainly resulting from hydrolysis, were found in effluent wastewaters and surface waters. However, the low abundance of omeprazole TPs in the H2O samples together with the fact that omeprazole suffers an extensive metabolism, with a wide range of excretion rates (between 0.01 and 30)̂, suggests that human urinary metabolites should be studied in the H2O environment. The results obtained in excretion tests after administration of a 40 mg omeprazole dose in 3 healthy volunteers are reported. Anal. by liquid chromatog. coupled to hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF MS) reported low concentrations of omeprazole in urine. Up to 20-four omeprazole metabolites (OMs) were detected and tentatively elucidated. The most relevant OM was an omeprazole isomer, which obviously presented the same exact mass (m/z 346.1225), but also shared a major common fragment at m/z 198.0589. Subsequent analyses of surface H2O and effluent wastewater samples by both LC-QTOF MS and LC-MS/MS with triple quadrupole revealed that this metabolite (named as OM10) was the compound most frequently detected in H2O samples, followed by OM14a and OM14b. Up to the knowledge, OM10 had not been used before as urinary biomarker of omeprazole in waters. On the contrary, parent omeprazole was never detected in any of the H2O samples. After this research, it seems clear that monitoring the presence of omeprazole in the aquatic environment should be focused on the OMs suggested in this article instead of the parent compound

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56621-48-8, is researched, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2OJournal, Monatshefte fuer Chemie called 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, the main research direction is electrophile isulfur nucleophile electrochem oxidation reaction mechanism.Product Details of 56621-48-8.

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,
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Name: 4-(Piperazin-1-yl)phenol. 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 Symmetrically substituted zinc phthalocyanine derivatives bearing N-heterocycle moieties. Synthesis and structural analysis investigations.

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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Ether – Wikipedia,
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Recommanded Product: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single 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 Role of CYP3A4 in the regulation of the aryl hydrocarbon receptor by omeprazole sulphide. Author is Gerbal-Chaloin, Sabine; Pichard-Garcia, Lydiane; Fabre, Jean-Michel; Sa-Cunha, Antonio; Poellinger, Lorenz; Maurel, Patrick; Daujat-Chavanieu, Martine.

Cross-talk between nuclear receptors involved in the control of drug metabolism is being increasingly recognized as a source of drug side effects. Omeprazole is a well known activator of the aryl hydrocarbon receptor (AhR). We investigated the regulation of AhR by omeprazole-sulfide, a degradation metabolite of omeprazole, using CYP1A mRNA induction, reporter gene assay, receptor DNA binding, ligand binding, nuclear translocation, trypsin digests, and drug metabolism anal. in mouse Hepa-1c1c7, human HepG2 cells and primary human hepatocytes. Omeprazole-sulfide is a pure antagonist of AhR in Hepa-1c1c7 and HepG2 hepatoma cell lines. In Hepa-1c1c7 cells, omeprazole-sulfide is a ligand of AhR, inhibits AhR activation to a DNA-binding form, induces a specific pattern of AhR trypsin digestion and inhibits AhR nuclear translocation and subsequent degradation in response to 2,3,7,8-tetrachlorodibenzo-p-dioxin. However, in highly differentiated primary human hepatocytes treated with rifampicin an agonist of the pregnane X receptor (PXR), omeprazole-sulfide behaves as an agonist of AhR. Inhibition of drug metabolizing enzymes by ketoconazole restores the antagonist effect of omeprazole-sulfide. Metabolic LC/MS anal. reveals that omeprazole-sulfide (AhR antagonist) is efficiently converted to omeprazole (AhR activator) by cytochrome P 450 CYP3A4, a target gene of PXR, in primary human hepatocytes but not in hepatoma cells in which PXR is not expressed. This report provides the first evidence for a cross-talk between PXR/CYP3A4 and AhR. In addition, it clearly shows that conclusions drawn from experiments carried out in cell lines may lead to erroneous in vivo predictions in man.

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

Name: 4-(Piperazin-1-yl)phenol. 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 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.

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

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 Synthesis, characterization and photovoltaic behaviours of peripheral and non-peripheral tetra-[4-(4-octylpiperazin-1-yl)phenoxy] substituted zinc(II), cobalt(II), copper(II) and indium(III) phthalocyanines, the main research direction is transition metal indium phthalocyanine complex preparation photovoltage; heterojunction solar cell transition metal indium phthalocyanine complex; elec potential relationship transition metal indium phthalocyanine complex.Related Products of 56621-48-8.

The synthesis of zinc(II), cobalt(II), copper(II) and indium(III)(OAc) phthalocyanines carrying four 4-(4-octylpiperazin-1-yl)phenoxy moieties in peripheral/non-peripheral positions were performed by the cyclotetramerization of compounds 4-[4-(4-octylpiperazin-1-yl)phenoxy]phthalonitrile or 3-[4-(4-octylpiperazin-1-yl)phenoxy]phthalonitrile with resp. metal salts. The novel phthalonitriles and phthalocyanines were characterized by elemental and spectroscopic anal., including 1H NMR, 13C NMR, FTIR, UV-visible spectral and MALDI-TOF mass data. To clarify the influence of the position of substituent group and the variety of the central metal atom on the photovoltaic performance, bulk heterojunction devices by using phthalocyanines with different blend ratio, as donor was fabricated and characterized.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about Omeprazole determination using HPLC with coulometric detection, the main research direction is omeprazole determination HPLC; liquid chromatog determination omeprazole.Formula: C17H19N3O2S.

A sensitive high performance liquid chromatog. (HPLC) method for the determination of omeprazole and three related benzimidazoles is reported. Coulometric detection was carried out at +800 mV using a porous carbon electrode. The linear range is 0.01-10 μg/mL. The method has a high degree of precision; the relative standard deviation of omeprazole at a concentration of 1.06 μg/mL was 0.7% (n=4). The cyclic voltammogram of omeprazole is consistent with the hydrodynamic voltammogram exhibiting a single major irreversible oxidative wave with a peak potential at +1105 mV. The response factors for the four compounds are similar indicating that the oxidative process does not involve the sulfur moiety exclusively. The data are most consistent with oxidation primarily of the benzimidazole groups. The method was applied successfully to the determination of omeprazole in a paste formulation.

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

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 Efficient factors on the hydrolysis reaction rate of some para-aminophenol derivatives in acidic pHs, published in 2013, which mentions a compound: 56621-48-8, Name is 4-(Piperazin-1-yl)phenol, Molecular C10H14N2O, Computed Properties of C10H14N2O.

Electrochem. oxidation of some p-aminophenol derivatives (1-5) in acidic solutions was studied both exptl. and theor. to provide insight into the influence of some factors on the hydrolysis reaction rate. The result of this work shows that the electrogenerated p-quinoneimines participate in the hydrolysis reaction and are converted to the p-benzoquinone. The hydrolysis reaction rate strongly depends on the structure of the p-aminophenols and solution’s pH. The observed homogeneous rate constants of hydrolysis (kobshyd) of p-quinoneimines were determined using digital simulation technique. The effect of different parameters such as: change of Gibbs free energy (ΔG) of the electrochem. oxidation of para-aminophenol derivatives (1-5), charge of reaction site, N-C4 bond order (Wiberg Bond Indexes, WBIs) and the nature of substituted group, on the hydrolysis rate constant were also studied. All calculations were performed using D. Functional Theory (DFT) both BP86 and B3LYP levels of theory and 6-311G (p,d) basis set. The N-C4 bond order and charge on the reaction site play significant roles in hydrolysis reaction’s rate.

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

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 Simultaneous determination of omeprazole and their main metabolites in human urine samples by capillary electrophoresis using electrospray ionization-mass spectrometry detection, published in 2014-04-15, which mentions a compound: 73590-85-9, Name is 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, Molecular C17H19N3O2S, Computed Properties of C17H19N3O2S.

The authors report a novel method for the simultaneous determination of omeprazole and their main metabolites (omeprazole sulfide, omeprazole sulfone and 5-hydroxy omeprazole) in human urine samples. For this purpose, two new capillary electrophoresis (CE) methods were developed for the simultaneous determination of target compounds, using initially diode-array for optical detection and electrospray ionization-mass spectrometry (ESI-MS) for metabolites identification and identity confirmation. A new metabolite (5-hydroxysulfide omeprazole) was identified by electrospray ionization multi-stage mass spectrometry (ESI-MS2) fragment which was then used to support the proposed chem. structure. Pharmacokinetic results using CE method were compared with those obtained when a HPLC method was used. Equivalent pharmacokinetics profiles resulted when any anal. methods were carried out.

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

Gerbal-Chaloin, Sabine; Pichard-Garcia, Lydiane; Fabre, Jean-Michel; Sa-Cunha, Antonio; Poellinger, Lorenz; Maurel, Patrick; Daujat-Chavanieu, Martine published the article 《Role of CYP3A4 in the regulation of the aryl hydrocarbon receptor by omeprazole sulphide》. Keywords: CYP3A4 gene aryl hydrocarbon receptor omeprazole sulfide.They researched the compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole( cas:73590-85-9 ).Formula: C17H19N3O2S. 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:73590-85-9) here.

Cross-talk between nuclear receptors involved in the control of drug metabolism is being increasingly recognized as a source of drug side effects. Omeprazole is a well known activator of the aryl hydrocarbon receptor (AhR). We investigated the regulation of AhR by omeprazole-sulfide, a degradation metabolite of omeprazole, using CYP1A mRNA induction, reporter gene assay, receptor DNA binding, ligand binding, nuclear translocation, trypsin digests, and drug metabolism anal. in mouse Hepa-1c1c7, human HepG2 cells and primary human hepatocytes. Omeprazole-sulfide is a pure antagonist of AhR in Hepa-1c1c7 and HepG2 hepatoma cell lines. In Hepa-1c1c7 cells, omeprazole-sulfide is a ligand of AhR, inhibits AhR activation to a DNA-binding form, induces a specific pattern of AhR trypsin digestion and inhibits AhR nuclear translocation and subsequent degradation in response to 2,3,7,8-tetrachlorodibenzo-p-dioxin. However, in highly differentiated primary human hepatocytes treated with rifampicin an agonist of the pregnane X receptor (PXR), omeprazole-sulfide behaves as an agonist of AhR. Inhibition of drug metabolizing enzymes by ketoconazole restores the antagonist effect of omeprazole-sulfide. Metabolic LC/MS anal. reveals that omeprazole-sulfide (AhR antagonist) is efficiently converted to omeprazole (AhR activator) by cytochrome P 450 CYP3A4, a target gene of PXR, in primary human hepatocytes but not in hepatoma cells in which PXR is not expressed. This report provides the first evidence for a cross-talk between PXR/CYP3A4 and AhR. In addition, it clearly shows that conclusions drawn from experiments carried out in cell lines may lead to erroneous in vivo predictions in man.

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.

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