Month: March 2022

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.

There is still a lot of research devoted to this compound(SMILES：OC1=CC=C(N2CCNCC2)C=C1)Computed Properties of C10H14N2O, and with the development of science, more effects of this compound(56621-48-8) can be discovered.

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

Recommanded Product: 73590-85-9. 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: 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.

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.

There is still a lot of research devoted to this compound(SMILES：CC1=CN=C(CSC2=NC3=CC(OC)=CC=C3N2)C(C)=C1OC)Recommanded Product: 73590-85-9, and with the development of science, more effects of this compound(73590-85-9) can be discovered.

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

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

There is still a lot of research devoted to this compound(SMILES：OC1=CC=C(N2CCNCC2)C=C1)Recommanded Product: 4-(Piperazin-1-yl)phenol, and with the development of science, more effects of this compound(56621-48-8) can be discovered.

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

Computed Properties of C8H9N3S. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, is researched, Molecular C8H9N3S, CAS is 118430-78-7, about Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors. Author is Moree, Wilna J.; Goldman, Phyllis; Demaggio, Anthony J.; Christenson, Erik; Herendeen, Dan; Eksterowicz, John; Kesicki, Edward A.; McElligott, David L.; Beaton, Graham.

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.

If you want to learn more about this compound(1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine)Computed Properties of C8H9N3S, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(118430-78-7).

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 Regioselective C-H hydroxylation of omeprazole sulfide by Bacillus megaterium CYP102A1 to produce a human metabolite, published in 2017-01-31, which mentions a compound: 73590-85-9, Name is 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, Molecular C17H19N3O2S, Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole.

Objectives: To find a simple enzymic strategy for the efficient synthesis of the expensive 5′-hydroxyomeprazole sulfide, a recently identified minor human metabolite, from omeprazole sulfide, which is an inexpensive substrate. Results: The practical synthetic strategy for the 5′-OH omeprazole sulfide was accomplished with a set of highly active CYP102A1 mutants, which were obtained by blue colony screening from CYP102A1 libraries with a high conversion yield. The mutant and even the wild-type enzyme of CYP102A1 catalyzed the high regioselective (98 %) C-H hydroxylation of omeprazole sulfide to 5′-OH omeprazole sulfide with a high conversion yield (85-90 %). Conclusions: A highly efficient synthesis of 5′-OH omeprazole sulfide was developed using CYP102A1 from Bacillus megaterium as a biocatalyst.

If you want to learn more about this compound(5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole)Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(73590-85-9).

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

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 Pharmacokinetics of [14C]omeprazole in patients with impaired renal function., published in 1986, which mentions a compound: 73590-85-9, mainly applied to , Quality Control of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole.

Pharmacokinetics of [14C]omeprazole and its metabolites were studied after single intravenous and oral doses of 20 and 40 mg, respectively, to 12 patients with chronic renal insufficiency. Blood samples for determination of total radioactivity, omeprazole, OH-omeprazole, sulfone, and sulfide were taken for 24 hours. Urine was collected over 96 hours for determination of total radioactivity and during the first 24 hours for additional assay of omeprazole and metabolites. The mean systemic availability was 70%. The mean plasma t1/2 of omeprazole was 0.6 hours. Unchanged omeprazole was not measurable in urine. Derived pharmacokinetic constants of intact omeprazole were within the range of those reported in healthy individuals. The accumulated 24-hour excretion of radioactive metabolites was related significantly to creatinine clearance. The cumulative excretion of total radioactivity in urine over 96 hours in percent of given dose varied between 25% and 83%.

If you want to learn more about this compound(5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole)Quality Control of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(73590-85-9).

Reference:
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 Investigating the presence of omeprazole in waters by liquid chromatography coupled to low and high resolution mass spectrometry: degradation experiments, the main research direction is omeprazole water liquid chromatog mass spectrometry degradation; omeprazole; surface water; time-of-flight mass spectrometry; transformation/degradation products; triple quadrupole mass spectrometry; ultra-high-performance liquid chromatography; urban wastewater.COA of Formula: C17H19N3O2S.

Omeprazole is one of the most consumed pharmaceuticals around the world. However, this compound is scarcely detected in urban wastewater and surface water. The absence of this pharmaceutical in the aquatic ecosystem might be due to its degradation in wastewater treatment plants, as well as in receiving water. Different laboratory-controlled degradation experiments were carried out on surface water to elucidate omeprazole transformation products (TPs). Surface water spiked with omeprazole was subjected to hydrolysis, photo-degradation under both sunlight and UV radiation and chlorination. Analyses by liquid chromatog. coupled to quadrupole time-of-flight mass spectrometry (LC-QTOF MS) permitted identification of ≤17 omeprazole TPs. In a subsequent step, the TPs identified were sought in surface water and urban wastewater by LC-QTOF MS and by LC coupled to tandem mass spectrometry with triple quadrupole. The parent omeprazole was not detected in any of the samples, but 4 TPs were found in several water samples. The most frequently detected compound was OTP 5 (omeprazole sulfide), which might be a reasonable candidate to be included in monitoring programs rather than the parent omeprazole. Copyright pr 2013 John Wiley & Sons, Ltd.

If you want to learn more about this compound(5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole)COA of Formula: C17H19N3O2S, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(73590-85-9).

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

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.

If you want to learn more about this compound(4-(Piperazin-1-yl)phenol)Recommanded Product: 4-(Piperazin-1-yl)phenol, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56621-48-8).

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 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.

If you want to learn more about this compound(4-(Piperazin-1-yl)phenol)Related Products of 56621-48-8, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56621-48-8).

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

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.

If you want to learn more about this compound(4-(Piperazin-1-yl)phenol)Application In Synthesis of 4-(Piperazin-1-yl)phenol, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(56621-48-8).

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