Month: April 2022

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

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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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: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about Development of a validated RP-HPLC method for separation and determination of process-related impurities of omeprazole in bulk drugs.Related Products of 73590-85-9.

A gradient reversed phase liquid chromatog. (RP-LC) method was developed and subsequently validated for the determination of omeprazole and its process-related impurities (noted as: impurity A, B, C, D, G, H). Separation was achieved with a Zorbax Extend C18 column and acetonitrile: water: triethylaminel percent (pH adjusted to 9.5) as eluent, at a flow rate of 0.8 mL/min. UV detection was performed at 280 nm. The described method was linear over a range of 40.6-203 μg/mL for omeprazole, 0.9556-14.334 μg/mL for impurity A, 1.1568-17.352 μg/mL for impurity B, 1.0772-16.158 μg/mL for impurity C, 1.289-19.344 μg/mL for impurity D, and 0.7968-11.952 μg/mL for impurity H. The accuracy of the method was demonstrated at 5 concentration levels in the range of 60-140% of the specification limit and the recovery of impurities was found to be in the range of 90-109%. The method is simple, rapid, selective, accurate, and useful for indicating the stability of omeprazole from dosage forms. The method can be useful in the quality control of bulk manufacturing and pharmaceutical formulations.

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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, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Itraconazole Side Chain Analogues: Structure-Activity Relationship Studies for Inhibition of Endothelial Cell Proliferation, Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) Glycosylation, and Hedgehog Signaling, Author is Shi, Wei; Nacev, Benjamin A.; Aftab, Blake T.; Head, Sarah; Rudin, Charles M.; Liu, Jun O., which mentions a compound: 56621-48-8, SMILESS is OC1=CC=C(N2CCNCC2)C=C1, Molecular C10H14N2O, Application of 56621-48-8.

Itraconazole is an antifungal drug that was recently found to possess potent antiangiogenic activity and anti-hedgehog (Hh) pathway activity. To search for analogs of itraconazole with greater potency and to understand the structure-activity relationship in both antiangiogenic and Hh targeting activity, 25 itraconazole side chain analogs were synthesized and assayed for inhibition of endothelial cell proliferation and Gli1 transcription in a medulloblastoma (MB) culture. Through this anal., we have identified analogs with increased potency for inhibiting endothelial cell proliferation and the Hh pathway, as well as VEGFR2 glycosylation that was recently found to be inhibited by itraconazole. An SAR anal. of these activities revealed that potent activity of the analogs against VEGFR2 glycosylation was generally driven by side chains of at least four carbons in composition with branching at the α or β position. SAR trends for targeting the Hh pathway were divergent from those related to HUVEC proliferation or VEGFR2 glycosylation. These results also suggest that modification of the sec-Bu side chain can lead to enhancement of the biol. activity of itraconazole.

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Trivedi, Harshal K.; Patel, Mukesh C. published an article about the compound: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole( cas:73590-85-9,SMILESS:CC1=CN=C(CSC2=NC3=CC(OC)=CC=C3N2)C(C)=C1OC ).Synthetic Route of C17H19N3O2S. 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:73590-85-9) through the article.

A simple reversed-phase high performance liquid chromatog. was developed and employed for the determination of omeprazole and its related substances in bulk material and com. dosage forms. A gradient elution of filtered sample was performed on Zorbax XDB C8 (150 × 4.6), 5μ column with Glacine buffer (pH-8.8) as a mobile phase-A, Acetonitrile : Methanol (83:17) as a mobile phase-B and UV detection at 302 nm. Mobile phase was delivered at flow of 1.2 mL/min and at maintaining the column temperature at 25°C, quantification was achieved with reference to the external standards The active ingredient – omeprazole was successfully separated from its all related substances, including process impurities and other possible impurities of oxidation and decomposition The excipients did not interfere with the determination of omeprazole and its related compound in com. dosage formulations. The method was rapid, simple, accurate and reproducible. It was not only successfully employed for the assay of omeprazole in bulk material and pharmaceutical dosage forms but also for the determination of its related substances. A statistical design of experiments was used for the robustness evaluation of HPLC anal. method. All results were acceptable and confirmed that the method is suitable for its intended use.

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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 Omeprazole determination using HPLC with coulometric detection, published in 2001-06-30, which mentions a compound: 73590-85-9, Name is 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, Molecular C17H19N3O2S, Recommanded Product: 73590-85-9.

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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Application In Synthesis of 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 Syntheses and radiofluorination of two derivatives of 5-cyano-indole as selective ligands for the dopamine subtype-4 receptor.

Two fluoroethoxy derivatives, namely 2-{4-[2-(2-fluoroethoxy)phenyl]piperazin-1-ylmethyl}indole-5-carbonitrile (I) and 2-{4-[4-(2-fluoroethoxy)phenyl]piperazin-1-ylmethyl}indole-5-carbonitrile (II) were synthesized as analogs of the selective D4 receptor ligand 2-[4-(4-fluorophenyl)piperazin-1-ylmethyl]indole-5-carbonitrile (FAUC 316). In vitro characterization using CHO-cells expressing different dopamine receptor subtypes gave Ki = 2.1 and 9.9 nM of I and II, resp., for the dopamine D4 subtype and displayed a 420-fold D4-selectivity over D2 receptors for II. Candidate II revealed substantially reduced α1 and serotoninergic binding affinities in comparison to I. To provide potential PET imaging probes for the dopamine D4 receptor, 18F-labeling conditions using [18F]fluoroethyl tosylate were optimized and led to radiochem. yields of 81 ± 5% (18F-I) and 47 ± 4% (18F-II) (n = 3, decay-corrected, referred to labeling agent), resp. Thus, 18F-fluoroethylation favorably at the para position of the phenylpiperazine moiety of the 5-cyanoindole framework proved to be tolerated by D4 receptors and could also be applied to alternative scaffolds to develop D4 radioligand candidates for PET with improved D4 receptor affinity and selectivity.

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Synthetic Route 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 Synthesis and characterization of phosphorus-containing dendrimers bearing rhodamine derivatives as terminal groups. Author is Wei, Yiqian; Laurent, Regis; Majoral, Jean-Pierre; Caminade, Anne-Marie.

The synthesis of two new derivatives of Rhodamine B functionalized by phenols is reported. For one rhodamine derivative, the equilibrium between the open form and the ring-closed (spirolactam) form is completely shifted toward the latter, whereas the constitution of the other rhodamine derivative precludes ring closure. The spirolactam derivative was grafted as terminal group to a first generation phosphorus-containing dendrimer. Attempts to open the spirolactam form by adding HCl failed and resulted only in protonation of the NEt2 substituent of rhodamine.

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Safety of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole. 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: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole, is researched, Molecular C17H19N3O2S, CAS is 73590-85-9, about Regioselective C-H hydroxylation of omeprazole sulfide by Bacillus megaterium CYP102A1 to produce a human metabolite. Author is Jang, Hyun-Hee; Ryu, Sang-Hoon; Le, Thien-Kim; Doan, Tiep Thi My; Nguyen, Thi Huong Ha; Park, Ki Deok; Yim, Da-Eun; Kim, Dong-Hyun; Kang, Choong-Kyung; Ahn, Taeho; Kang, Hyung-Sik; Yun, Chul-Ho.

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.

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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 Ordered Layered Dendrimers Constructed from Two Known Dendrimer Families: Inheritance and Emergence of Properties.Application In Synthesis of 4-(Piperazin-1-yl)phenol.

A new concept is presented, namely the synthesis of dendrimers intrinsically composed in alternation of building blocks pertaining to two known families of dendrimers: phosphorhydrazone dendrimers and triazine-piperazine dendrimers. These mixed dendrimers with layered controlled architecture inherit their easy 31P NMR characterization and their thermal stability from the phosphorhydrazone family, and their decreased solubility from the triazine-piperazine family. However, they have also their own and original characteristics. Both parent families are white powders, whereas the mixed dendrimers are yellow, orange, or red powders, depending on the generation. DFT calculations were carried out on model dendrons to understand these special color features. Remarkably, these dendrimers incorporating redox-active organic entities allow for the first time the monitoring of the growth of an organic dendrimer by electrochem. while highlighting an even-odd generation behavior.

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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 Disposition of the anti-ulcer medications ranitidine, cimetidine, and omeprazole following administration of multiple doses to exercised Thoroughbred horses, published in 2017, which mentions a compound: 73590-85-9, mainly applied to antiulcer ranitidine cimetidine omeprazole pharmacokinetics, Related Products of 73590-85-9.

The use of anti-ulcer medications, such as cimetidine, ranitidine, and omeprazole, is common in performance horses. The use of these drugs is regulated in performance horses, and as such a withdrawal time is necessary prior to competition to avoid a medication violation. To the authors’ knowledge, there are no reports in the literature describing repeated oral administrations of these drugs in the horse to determine a regulatory threshold and related withdrawal time recommendations. Therefore, the objective of the current study was to describe the disposition and elimination pharmacokinetics of these anti-ulcer medications following oral administration to provide data upon which appropriate regulatory recommendations can be established. Nine exercised Thoroughbred horses were administered 20 mg/kg BID of cimetidine or 8 mg/kg BID of ranitidine, both for seven doses or 2.28 g of omeprazole SID for four doses. Blood samples were collected, serum drug concentrations were determined, and elimination pharmacokinetic parameters were calculated The serum elimination half-life was 7.05 ± 1.02, 7.43 ± 0.851 and 3.94 ± 1.04 h for cimetidine, ranitidine, and omeprazole, resp. Serum cimetidine and ranitidine concentrations were above the LOQ and omeprazole and omeprazole sulfide below the LOQ in all horses studied upon termination of sample collection.

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