Category: 930-36-9

HPLC of Formula: 930-36-9On September 24, 2020 ,《Discovery of DS-1971a, a Potent, Selective NaV1.7 Inhibitor》 was published in Journal of Medicinal Chemistry. The article was written by Shinozuka, Tsuyoshi; Kobayashi, Hiroyuki; Suzuki, Sayaka; Tanaka, Kyosuke; Karanjule, Narayan; Hayashi, Noriyuki; Tsuda, Toshifumi; Tokumaru, Eri; Inoue, Masahiro; Ueda, Kiyono; Kimoto, Hiroko; Domon, Yuki; Takahashi, Sakiko; Kubota, Kazufumi; Yokoyama, Tomihisa; Shimizugawa, Akiko; Koishi, Ryuta; Fujiwara, Chie; Asano, Daigo; Sakakura, Tomoko; Takasuna, Kiyoshi; Abe, Yasuyuki; Watanabe, Toshiyuki; Kitano, Yutaka. The article contains the following contents:

A highly potent, selective NaV1.7 inhibitor, DS-1971a(I), has been discovered. Exploration of the left-hand Ph ring of sulfonamide derivatives (I and II) led to the discovery of novel series of cycloalkane derivatives with high NaV1.7 inhibitory potency in vitro. As the right-hand heteroaromatic ring affected the mechanism-based inhibition liability of CYP3A4, replacement of this moiety resulted in the generation of 4-pyrimidyl derivatives Addnl., GSH adducts formation, which can cause idiosyncratic drug toxicity, was successfully avoided by this modification. An addnl. optimization led to the discovery of DS-1971a. In preclin. studies, DS-1971a demonstrated highly potent selective in vitro profile with robust efficacy in vivo. DS-1971a exhibited a favorable toxicol. profile, which enabled multiple-dose studies of up to 600 mg bid or 400 mg tid (1200 mg/day) administered for 14 days to healthy human males. DS-1971a is expected to exert potent efficacy in patients with peripheral neuropathic pain, with a favorable safety profile. The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9HPLC of Formula: 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. HPLC of Formula: 930-36-9

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

Dong, Dawei; Xiao, Yafei; Zhang, Minghua; Yang, Zhaojie; Wang, Ke; Fan, Minmin published an article in International Journal of Hydrogen Energy. The title of the article was 《Crosslinked anion exchange membranes with regional intensive ion clusters prepared from quaternized branched polyethyleneimine/quaternized polysulfone》.Product Details of 930-36-9 The author mentioned the following in the article:

A series of anion exchange membranes (AEMs) with regionally dense ion clusters are prepared by crosslinking quaternized polysulfone (QPSU) with quaternized branched polyethyleneimine (QBPEI). For the as-prepared QPSU/QBPEI AEMs, the hydrophilic QBPEI forms locally aggregated ion clusters in the QPSU matrix, which can promote the formation of an obvious microphase separation structure in the membrane. The QPSU/QBPEI-3 AEM with an ion exchange capacity of 1.88 meq/g exhibits the best performance, achieving a reasonably high ionic conductivity of 66.14 mS/cm at 80°C and showing good oxidation stability and alkali resistance. Finally, the maximum power d. of a single H2/O2 fuel cell with QPSU/QBPEI-3 AEM reaches 75.34 mW/cm2 at 80°C. The above results indicate that QBPEI with a dendritic structure and abundant anionic conductive groups has a good application prospect in the preparation of AEMs with locally aggregated ion clusters and microphase separation structures. The results came from multiple reactions, including the reaction of 1-Methylpyrazole(cas: 930-36-9Product Details of 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. Product Details of 930-36-9

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

Recommanded Product: 930-36-9On October 3, 2019 ,《Calculation of 15N NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels》 was published in Journal of Physical Chemistry A. The article was written by Semenov, Valentin A.; Samultsev, Dmitry O.; Krivdin, Leonid B.. The article contains the following contents:

Computations of 15N NMR chem. shifts in 93 diverse nitrogen-containing compounds representing almost all known classes are performed at the d. functional theory (DFT), second-order Moller-Plesset perturbation theory (MP2), and coupled cluster singles and doubles (CCSD) levels using the composite method approximation (CMA) in comparison with exptl. results. It is shown that the CMA-DFT and CMA-CCSD methods provided the best performance characterized by a normalized mean absolute error of 1.1-1.3% as compared to 2.3% for the CMA-MP2 results. Taking into account solvent effects within the conductor-like polarizable continuum model decreased the normalized mean absolute error by 0.4% for the CMA-DFT and by 0.2% for the CMA-CCSD calculations The experimental part of the paper was very detailed, including the reaction process of 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

SDS of cas: 930-36-9On October 31, 2022 ,《Hierarchical architecture of two-dimensional Ti3C2 nanosheets@Metal-Organic framework derivatives as anode for hybrid li-ion capacitors》 appeared in Journal of Colloid and Interface Science. The author of the article were Wu, Wenling; Zhao, Chunhui; Liu, Hao; Liu, Tiantian; Wang, Lei; Zhu, Jianfeng. The article conveys some information:

Two-dimensional (2D) layered metal carbides materials called MXenes (e.g., Ti3C2) are significantly attentioned as electrode material for lithium-ion capacitors (LICs) because of its large surface-to-volume ratio and ultra-high electronic conductivity Whereas, as anode electrode material, the performance and application prospects of Ti3C2 are severely restricted to its lower theory. capacity. In this work, a straightforward and effective strategy to surmount the restrictions was developed to combine layered Ti3C2 nanosheets with dual Co/Zn metal-organic framework (MOF) polyhedrons derivatives through electrostatic assembly. Co3O4/ZnO polyhedrons could prevent the stacking of Ti3C2 nanosheets and provide prominent lithium storage capacity. Furthermore, the advanced structure of Ti3C2@Co3O4/ZnO as anode material could provide short Li+ paths, large electrolyte channels and excellent structural stability to enhance the electrochem. performance for LICs. As a result, the prepared Ti3C2@Co3O4/ZnO composite exhibited a specific capacity of 585.7 mAh/g at 0.1 A/g, and the electrode still delivered a capacity of 229 mAh/g at 2 A/g after 1000 cycles with 93% capacity retention in lithium-ion half cell. In addition, by assembling with activated carbon (AC) as cathode and Ti3C2@Co3O4/ZnO as anode, the LIC revealed an ultra-high energy d. of 196.8 Wh/kg at a power d. of 174.9 W/kg, and delivered a high energy output of 87.5 Wh/kg even at a power d. of 3500 W/kg. And its capacitance retention reaches 75% after 6000 cycles at 2 A/g. The advanced structure, handy preparation, and outstanding performance of layered carbon-based material Ti3C2@hollow polyhedrons composite might provide promising applications in LICs. The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9SDS of cas: 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. SDS of cas: 930-36-9

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

《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

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