Tag: 0-100

《Ammonium ionic liquid cation promotes electrochemical CO2 reduction to ethylene over formate while inhibiting the hydrogen evolution on a copper electrode》 was written by Ummireddi, Ashok Kumar; Sharma, Shilendra Kumar; Pala, Raj Ganesh S.. Category: pyrazoles-derivatives And the article was included in Catalysis Science & Technology in 2022. The article conveys some information:

Reduction in the cost of renewable electricity has enhanced the viability of the electrochem. CO2 reduction reaction (CO2RR) to chems. Ethylene is an economically desired product, and Cu is the only cathode that produces C2H4 at reasonable faradaic efficiencies. Altering the binding strength of the key intermediate (CO2- ) to favor the reaction pathway to ethylene offers an opportunity to enhance its selectivity further. We explore the influence of ionic liquid cations on ethylene/CO2RR and hydrogen evolution reaction (HER) activities on polycrystalline Cu. Alkylated imidazolium, pyrazolium, pyrrolidinium, and ammonium tetrafluoroborates were chosen because of their range of Bader charges on their N atom(s) and pKa values. Among all cations, the tetraethylammonium cation with moderate Bader charge on N and high pKa of hydration showed the highest ethylene/CO2RR and lowest HER activities, resp. From d. functional theory calculations, it is concluded that the moderate stabilization of the critical intermediate (*COO-) and the decrease in hydrogen binding energy are the reasons for the enhancement of ethylene/CO2RR and suppression of HER activities, resp. The experimental process involved the reaction of 1-Methylpyrazole(cas: 930-36-9Category: pyrazoles-derivatives)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Category: pyrazoles-derivatives

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Li, Weipeng; Yuan, Dandan; Wang, Guoqiang; Zhao, Yue; Xie, Jin; Li, Shuhua; Zhu, Chengjian published an article on February 20 ,2019. The article was titled 《Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight》, and you may find the article in Journal of the American Chemical Society.Quality Control of 1-Methylpyrazole The information in the text is summarized as follows:

In the presence of (Me2S)AuCl and AgOAc, pyrazoles such as 1-phenylpyrazole underwent chemoselective and regioselective oxidative dehydrogenative coupling reactions with fluorinated arenes and pyridines such as 2,3,5,6-tetrafluoropyridine mediated by PhI(OAc)2 in 1,4-dioxane to yield (fluoroaryl)pyrazoles such as I. The mechanism of the oxidative coupling reaction was studied by determination of the reaction kinetics, kinetic isotope effects, and deuterium exchange, by generation and preparation of gold and silver complexes as potential intermediates, and by DFT calculations of transition state structures and energies for arene metalation, transmetalation, and reductive elimination reactions. Silver acetate is determined to be is the actual catalyst for C-H activation of electron-poor arenes, rather than gold(I) complexes. A mechanism of gold/silver dual catalysis is proposed, in which silver is responsible for the activation of electron-poor fluoroarenes via a concerted metalation-deprotonation pathway, and gold is responsible for the activation of electron-rich pyrazoles via an electrophilic aromatic substitution process. Kinetic studies reveal that C-H activation of pyrazoles by fluoroarylgold complexes is most likely the rate-limiting step. The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9Quality Control of 1-Methylpyrazole)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Quality Control of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Safronov, Sergey P.; Nagrimanov, Ruslan N.; Samatov, Aizat A.; Emel’yanenko, Vladimir N.; Zaitsau, Dzmitry H.; Pimerzin, Andrey A.; Skrzypczak, Andrzej; Verevkin, Sergey P. published an article on January 31 ,2019. The article was titled 《Benchmark properties of pyrazole derivatives as a potential liquid organic hydrogen carrier: Evaluation of thermochemical data with complementary experimental and computational methods》, and you may find the article in Journal of Chemical Thermodynamics.Reference of 1-Methylpyrazole The information in the text is summarized as follows:

The standard molar enthalpies of vaporization of alkyl-pyrazoles were derived from their vapor pressure-temperature dependence measured by the transpiration method as well as indirectly using solution calorimetry. Thermodn. data on vaporization processes available in the literature were collected, evaluated, and combined with our own exptl. results. Addnl. combustion experiments on the highly pure 1-methyl-pyrazoles helped to resolve ambiguity in the enthalpy of formation for this compound We have evaluated and recommended a set of vaporization and formation enthalpies for the alkyl-pyrazoles at 298.15 K as the reliable benchmark properties for further thermochem. calculations Gas phase molar enthalpies of formation of alkyl-pyrazoles calculated by the high-level quantum-chem. G4 and G3MP2 methods were in an excellent agreement with the recommended exptl. data. The hydrogenation/dehydrogenation reaction enthalpies of alkyl-pyrazoles were calculated and compared with the data for other potential liquid organic hydrogen carriers. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9Reference of 1-Methylpyrazole) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Category: pyrazoles-derivativesOn November 25, 2020 ,《Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases》 appeared in Journal of Medicinal Chemistry. The author of the article were Gerstenberger, Brian S.; Ambler, Catherine; Arnold, Eric P.; Banker, Mary-Ellen; Brown, Matthew F.; Clark, James D.; Dermenci, Alpay; Dowty, Martin E.; Fensome, Andrew; Fish, Susan; Hayward, Matthew M.; Hegen, Martin; Hollingshead, Brett D.; Knafels, John D.; Lin, David W.; Lin, Tsung H.; Owen, Dafydd R.; Saiah, Eddine; Sharma, Raman; Vajdos, Felix F.; Xing, Li; Yang, Xiaojing; Yang, Xin; Wright, Stephen W.. The article conveys some information:

Tyrosine kinase 2 (TYK2) is a member of the JAK kinase family that regulates signal transduction downstream of receptors for the IL-23/IL-12 pathways and type I interferon family, where it pairs with JAK2 or JAK1, resp. On the basis of human genetic and emerging clin. data, a selective TYK2 inhibitor provides an opportunity to treat autoimmune diseases delivering a potentially differentiated clin. profile compared to currently approved JAK inhibitors. The discovery of an ATP-competitive pyrazolopyrazinyl series of TYK2 inhibitors was accomplished through computational and structurally enabled design starting from a known kinase hinge binding motif. With understanding of PK/PD relationships, a target profile balancing TYK2 potency and selectivity over off-target JAK2 was established. Lead optimization involved modulating potency, selectivity, and ADME properties which led to the identification of the clin. candidate PF-06826647 (22). The experimental process involved the reaction of 1-Methylpyrazole(cas: 930-36-9Category: pyrazoles-derivatives)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Category: pyrazoles-derivatives

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Synthetic Route of C4H6N2On October 15, 2021 ,《Structure activity relationship (SAR) study identifies a quinoxaline urea analog that modulates IKKβ phosphorylation for pancreatic cancer therapy》 was published in European Journal of Medicinal Chemistry. The article was written by Sagar, Satish; Singh, Sarbjit; Mallareddy, Jayapal Reddy; Sonawane, Yogesh A.; Napoleon, John V.; Rana, Sandeep; Contreras, Jacob I.; Rajesh, Christabelle; Ezell, Edward L.; Kizhake, Smitha; Garrison, Jered C.; Radhakrishnan, Prakash; Natarajan, Amarnath. The article contains the following contents:

Genetic models validated Inhibitor of nuclear factor (NF) kappa B kinase beta (IKKβ) as a therapeutic target for KRAS mutation associated pancreatic cancer. Phosphorylation of the activation loop serine residues (S177, S181) in IKKβ is a key event that drives tumor necrosis factor (TNF) α induced NF-κB mediated gene expression. Here we conducted structure activity relationship (SAR) study to improve potency and oral bioavailability of a quinoxaline analog 13-197 that was previously reported as a NFκB inhibitor for pancreatic cancer therapy. The SAR led to the identification of a novel quinoxaline urea analog 84 that reduced the levels of p-IKKβ in dose- and time-dependent studies. When compared to 13-197, analog 84 was ∼2.5-fold more potent in TNFα-induced NFκB inhibition and ∼4-fold more potent in inhibiting pancreatic cancer cell growth. Analog 84 exhibited ∼4.3-fold greater exposure (AUC0-∞) resulting in ∼5.7-fold increase in oral bioavailability (%F) when compared to 13-197. Importantly, oral administration of 84 by itself and in combination of gemcitabine reduced p-IKKβ levels and inhibited pancreatic tumor growth in a xenograft model. After reading the article, we found that the author used 1-Methylpyrazole(cas: 930-36-9Synthetic Route of C4H6N2)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Synthetic Route of C4H6N2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

HPLC of Formula: 3310-35-8On September 30, 2007 ,《Quantum-chemical study of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs: X. 1-methylpyrazol-5-one and its thio and seleno analogs in H-complex formation reactions in the gas phase and in solutions》 was published in Russian Journal of General Chemistry. The article was written by Chmutova, G. A.; Ismagilova, E. R.; Shamov, G. A.. The article contains the following contents:

The effects of specific solvation and self-association of chalcogenpyrazol-5-ones are assessed using nonempirical quantum-chem., d. functional theory (DFT), and MP2 second-order perturbation theory methods. The formation of H-complexes with water, methanol, and DMSO stabilizes all tautomeric forms, the NH tautomers of all hetero analogs being the most affected. The NH tautomers form with water 1:2 complexes which reveal cooperativity. The complexes of chalcogenpyrazolones with DMSO are more stable than the resp. complexes with water, and, therewith, the extra stabilization in continuum is less pronounced than in the case of hydration. Quant., the effects of tautomer self-association compare with the effects of interaction of chalcogenpyrazolones with proton-donor solvents. The results came from multiple reactions, including the reaction of 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8HPLC of Formula: 3310-35-8)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. HPLC of Formula: 3310-35-8

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

In 2022,Bioinorganic Chemistry and Applications included an article by Kasparkova, Jana; Kostrhunova, Hana; Novohradsky, Vojtech; Logvinov, Alexey A.; Temnov, Viktor V.; Borisova, Nataliya E.; Podrugina, Tatiana A.; Markova, Lenka; Starha, Pavel; Nazarov, Alexey. A.; Brabec, Viktor. Recommanded Product: 930-36-9. The article was titled 《Novel cis-Pt(II) complexes with alkylpyrazole ligands: synthesis, characterization, and unusual mode of anticancer action》. The information in the text is summarized as follows:

One concept of improving anticancer effects of conventional platinum-based antitumor drugs consists of conjugating these compounds with other biol. (antitumor) active agents, acting by a different mechanism. Here, we present synthesis, physicochem. characterization, biol. effects, and mechanisms of action of four new analogs of conventional cisplatin, namely, cis-Pt(II) complexes containing either Me or Et pyrazole N-donor ligands and chlorido or iodido ligands. It is noteworthy that while chlorido complexes display activity in a variety of cancer cell lines comparable to cisplatin, iodido complexes are considerably more potent due to their enhanced hydrophobicity and consequently enhanced cellular accumulation. Moreover, all of the studied Pt(II) alkylpyrazole complexes display a higher selectivity for tumor cells and effectively overcome the acquired resistance to cisplatin. Further results focused on the mechanism of action of the studied complexes and showed that in contrast to cisplatin and several platinum-based antitumor drugs, DNA damage by the investigated Pt(II)-alkylpyrazole complexes does not play a major role in their mechanism of action. Our findings demonstrate that inhibition of the tubulin kinesin Eg5, which is essential for forming a functional mitotic spindle, plays an important role in their mechanism of antiproliferative action. In the experimental materials used by the author, we found 1-Methylpyrazole(cas: 930-36-9Recommanded Product: 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Recommanded Product: 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

《Cytochrome P450 1A2 is the most important enzyme for hepatic metabolism of the metamizole metabolite 4-methylaminoantipyrine》 was written by Bachmann, Fabio; Meyer zu Schwabedissen, Henriette E.; Duthaler, Urs; Krahenbuehl, Stephan. Electric Literature of C4H6N2 And the article was included in British Journal of Clinical Pharmacology on April 30 ,2022. The article conveys some information:

Metamizole (dipyrone) is a prodrug not detectable in serum or urine after oral ingestion. The primary metabolite, 4-methylaminoantipyrine (4-MAA), can be N-demethylated to 4-aminoantipyrine (4-AA) or oxidized to 4-formylaminoantipyrine (4-FAA) by cytochrome P 450 (CYP)-dependent reactions. We aimed to identify the CYPs involved in 4-MAA metabolism and to quantify the effect of CYP inhibition on 4-MAA metabolism We investigated the metabolism of 4-MAA in vitro using CYP expressing supersomes and the pharmacokinetics of metamizole in the presence of CYP inhibitors in male subjects. The experiments in supersomes revealed CYP1A2 as the major CYP for 4-MAA N-demethylation and 4-FAA formation with CYP2C19 and CYP2D6 contributing to N-demethylation. In the clin. study, we investigated the influence of ciprofloxacin (CYP1A2 inhibitor), fluconazole (CYP2C19 inhibitor) and the combination ciprofloxacin/fluconazole on the pharmacokinetics of metamizole in n = 12 male subjects in a randomized, placebo-controlled, double-blind study. The geometric mean ratios for the area under the concentration-time curve of 4-MAA after/before treatment were 1.17 (90% CI 1.09-1.25) for fluconazole, 1.51 (90% CI 1.42-1.60) for ciprofloxacin and 1.92 (90% CI 1.81-2.03) for ciprofloxacin/fluconazole. Fluconazole increased the half-life of 4-MAA from 3.22 h by 0.47 h (95% CI 0.13-0.81, P < .05), ciprofloxacin by 0.69 h (95% CI 0.44-0.94, P < .001) and fluconazole/ciprofloxacin by 2.85 h (95% CI 2.48-3.22, P < .001). CYP1A2 is the major CYP for the conversion of 4-MAA to 4-AA and 4-FAA. The increase in 4-MAA exposure by the inhibition of CYP1A2 and by the combination CYP1A2/CYP2C19 may be relevant for dose-dependent adverse reactions of 4-MAA. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9Electric Literature of C4H6N2) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Electric Literature of C4H6N2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Abu Talip, Ruwaida Asyikin; Yahya, Wan Zaireen Nisa; Bustam, Mohamad Azmi published an article on January 15 ,2022. The article was titled 《Understanding the physicochemical and transport properties of pyrazolium based ionic liquids bearing iodide and triiodide anions》, and you may find the article in Journal of Molecular Liquids.Reference of 1-Methylpyrazole The information in the text is summarized as follows:

Ionic liquids (ILs) particularly imidazolium-based ILs have been widely used in various industrial applications such as solvent or catalyst for synthesis, as electrolyte in energy devices, and as solvent for extraction and separation The extensive phys. and chem. properties data available on the imidazolium-based ILs have made them easier to be incorporated into variety of applications compared to other types of ionic liquids Ionic liquids composed of pyrazolium derivative as cation having the same heteroaromatic ring structure with imidazolium derivative except for the position of the nitrogen atoms, may result in unique phys. and chem. properties, yet have been minimally explored. The main objective of this study is to investigate the physicochem. and transport properties of pyrazolium-based ILs to fully comprehend their potential for further development for a specific task or application. In this study, three alkylpyrazolium iodides ILs as well as corresponding three alkylpyrazolium triiodides ILs were synthesized and characterized. The NMR anal. showed that the formation of alkylpyrazolium triiodides ILs from their resp. iodide precursors has resulted the resonance to be more deshielded due to lesser electron d. experienced by the acidic protons of pyrazolium cation due to the weakly localized charge in triiodide anion. The effect of different anions and the alkyl chain of the pyrazolium cation moiety has a pronounced effect on the phys. and transport properties of the synthesized ILs. It is found that the pyrazolium ionic liquids with triiodide anion demonstrated high thermal stability, low viscosity, and high ionic conductivity as compared to the iodide analogs.1-Methylpyrazole(cas: 930-36-9Reference of 1-Methylpyrazole) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Reference of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Computed Properties of C4H6N2On May 20, 2022 ,《Continuous Processing of Concentrated Organolithiums in Flow Using Static and Dynamic Spinning Disc Reactor Technologies》 appeared in Organic Process Research & Development. The author of the article were Wietelmann, Ulrich; Kloesener, Johannes; Rittmeyer, Peter; Schnippering, Stefan; Bats, Henk; Stam, Wouter. The article conveys some information:

Organometallic reactions involving highly reactive organolithium reagents are widely used in organic synthesis. However, the use of organometallics in batch mode on a pilot and industrial scale is challenging for safety reasons and frequently requires expensive cryogenic process conditions. A change to continuous processing in flow mode can provide major advantages for process safety and economics. In this study, we compare static and dynamic flow reactor technologies for two important organolithium (butyllithium and hexyllithium)-enabled transformations: deprotonations and bromine/lithium exchange reactions. Using higher concentrated (≥3 M) butyllithium (BuLi) solutions, i.e., reaction mixtures with reduced hydrocarbon content, decreases the risk of reactor fouling and allows for increased space/time yields. In the flow mode, the observed reactions could be carried out under more convenient conditions, i.e., at higher temperatures compared to the batch mode, and the deprotonation reaction even at ambient temperature instead of -78°C. The formation of precipitates with the risk of clogging can be further reduced by changing from static flow to dynamic spinning disk reactor technol. The SpinPro reactor system from Flowid has been identified to ensure robust performance, as it tolerates salt precipitations and can provide excellent mass transfer conditions. Flow process technol. using concentrated organolithium products can provide unique benefits for the manufacturing of pharmaceutical intermediates, agrochem. products, and specialty chems. After reading the article, we found that the author used 1-Methylpyrazole(cas: 930-36-9Computed Properties of C4H6N2)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Computed Properties of C4H6N2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics