Category: pyrazoles-derivatives

Application of 844501-71-9In 2011 ,《SAR studies of 4-pyridyl heterocyclic anilines that selectively induce autophagic cell death in von Hippel-Lindau-deficient renal cell carcinoma cells》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Bonnet, Muriel; Flanagan, Jack U.; Chan, Denise A.; Lai, Edwin W.; Nguyen, Phuong; Giaccia, Amato J.; Hay, Michael P.. The article conveys some information:

We recently identified a class of pyridyl aniline thiazoles (PAT) that displayed selective cytotoxicity for von Hippel-Lindau (VHL) deficient renal cell carcinoma (RCC) cells in vitro and in vivo. Structure-activity relationship (SAR) studies were used to develop a comparative mol. field anal. (CoMFA) model that related VHL-selective potency to the three-dimensional arrangement of chem. features of the chemotype. We now report the further mol. alignment-guided exploration of the chemotype to discover potent and selective PAT analogs. The contribution of the central thiazole ring was explored using a series of five- and six-membered ring heterocyclic replacements to vary the electronic and steric interactions in the central unit. We also explored a pos. steric CoMFA contour adjacent to the pyridyl ring using Pd-catalyzed cross-coupling Suzuki-Miyaura, Sonogashira and nucleophilic displacement reactions to prepare of a series of aryl-, alkynyl-, alkoxy- and alkylamino-substituted pyridines, resp. In vitro potency and selectivity were determined using paired RCC cell lines: the VHL-null cell line RCC4 and the VHL-pos. cell line RCC4-VHL. Active analogs selectively induced autophagy in RCC4 cells. We have used the new SAR data to further develop the CoMFA model, and compared this to a 2D-QSAR method. Our progress towards realizing the therapeutic potential of this chemotype as a targeted cytotoxic therapy for the treatment of RCC by exploiting the absence of the VHL tumor suppressor gene is reported. The experimental part of the paper was very detailed, including the reaction process of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 844501-71-9Application of 844501-71-9)

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 844501-71-9) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, antidiabetic and antibacterial activities. Application of 844501-71-9

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

《Synthesis of 2,2,2-trifluoroethyl 1H-pyrazole carboxylates: Insight into the mechanism of trichloromethyl group hydrolysis》 was written by Goncalves, Helena A.; Pereira, Bruna A.; Teixeira, Wystan K. O.; Moura, Sidnei; Flores, Darlene C.; Flores, Alex F. C.. HPLC of Formula: 15366-34-4This research focused ontrichloro methoxyalkenone trifluoroethanol cyclocondensation hydrolysis; methyl pyrazole carboxylate trifluoroethyl pyrazole carboxylate preparation green chem; trifluoroethanol trichloro hydroxyalkenone cyclocondensation; trifluoroethyl pyrazole carboxylate preparation green chem. The article conveys some information:

One-pot synthesis of 2,2,2-trifluoroethyl 1H-pyrazole-5(3)-carboxylates and via cyclocondensation of 1,1,1-trichloro-4-alkoxy-3-alken-2-ones, 1,1,1-trichloro-2,4-alkanediones and 1-aryl-4,4,4-trichloro-1,3-butanediones with hydrazine hydrochloride in 2,2,2-trifluoroethanol (TFE) was reported. Considering the low nucleophilicity of TFE in relation to methanol or ethanol, the results provided evidence for the mechanism of hydrolysis of the trichloromethyl group attached to the 1H-pyrazol ring. In the experiment, the researchers used Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4HPLC of Formula: 15366-34-4)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) 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.HPLC of Formula: 15366-34-4

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

《Design, Synthesis, and Biological Activity of 1,2,3-Triazolobenzodiazepine BET Bromodomain Inhibitors》 was written by Sharp, Phillip P.; Garnier, Jean-Marc; Hatfaludi, Tamas; Xu, Zhen; Segal, David; Jarman, Kate E.; Jousset, Helene; Garnham, Alexandra; Feutrill, John T.; Cuzzupe, Anthony; Hall, Peter; Taylor, Scott; Walkley, Carl R.; Tyler, Dean; Dawson, Mark A.; Czabotar, Peter; Wilks, Andrew F.; Glaser, Stefan; Huang, David C. S.; Burns, Christopher J.. Recommanded Product: 844501-71-9This research focused ontriazolo benzo diazepine preparation BET domain inhibitor anticancer agent. The article conveys some information:

A number of diazepines are known to inhibit bromo- and extra-terminal domain (BET) proteins. Their BET inhibitory activity derives from the fusion of an acetyl-lysine mimetic heterocycle onto the diazepine framework. Herein we describe a straightforward, modular synthesis of novel 1,2,3-triazolobenzodiazepines and show that the 1,2,3-triazole acts as an effective acetyl-lysine mimetic heterocycle. Structure-based optimization of this series of compounds led to the development of potent BET bromodomain inhibitors, e.g., I, with excellent activity against AF9-MLL-driven leukemic cells, concomitant with a reduction in c-MYC expression. These novel benzodiazepines therefore represent a promising class of therapeutic BET inhibitors.3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 844501-71-9Recommanded Product: 844501-71-9) was used in this study.

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 844501-71-9) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, antidiabetic and antibacterial activities. Recommanded Product: 844501-71-9

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

《A General Continuous Flow Method for Palladium catalysed Carbonylation Reactions Using Single and Multiple Tube-in-Tube Gas-Liquid Microreactors》 was published in European Journal of Organic Chemistry in 2014. These research results belong to Gross, Ulrike; Koos, Peter; O’Brien, Matthew; Polyzos, Anastasios; Ley, Steven V.. Application of 5952-93-2 The article mentions the following:

A series of amides [(ArC(O)NHR); Ar = 3-CH3C6H4; R = CH2CH2CH3, H2CC6H5, CH2CH:CH, etc.], esters [(R1C(O)OMe); R1 = 4-NO2C6H4, pyridin-2-yl, BrCH:CH, etc.] and carboxylic acids [(R2CO2H); R2 = 3-CH3C6H4, 4-NO2C6H4, 3-ClC6H4] by continuous flow chem. processes carbonylation of aryl and vinyl iodides and aryl bromides with a range of alkoxy, hydroxy and amino nucleophiles using palladium catalyst. Harnessing a semipermeable Teflon AF-2400 Tube-in-Tube assembly, these reactors permit the controlled transport of carbon monoxide into solution at elevated pressure to generate homogeneous flow streams, avoiding some potential issues associated with segmented flow gas-liquid reactors. As the volume of pressurized gas contained within the device is low, the hazards associated with this are potentially mitigated relative to comparable batch processes. It show how the incorporation of a second in-line gas-flow reactor allows for the sequential introduction of two gases (carbon monoxide and a gaseous nucleophile) into the reaction stream. In the experimental materials used by the author, we found Methyl 1-methyl-1H-pyrazole-4-carboxylate(cas: 5952-93-2Application of 5952-93-2)

Methyl 1-methyl-1H-pyrazole-4-carboxylate(cas: 5952-93-2) 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.Application of 5952-93-2

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

Product Details of 15366-34-4In 2022 ,《Discovery and Optimization of Highly Selective Inhibitors of CDK5》 was published in Journal of Medicinal Chemistry. The article was written by Daniels, Matthew H.; Malojcic, Goran; Clugston, Susan L.; Williams, Brett; Coeffet-Le Gal, Marie; Pan-Zhou, Xin-Ru; Venkatachalan, Srinivasan; Harmange, Jean-Christophe; Ledeboer, Mark. The article contains the following contents:

Autosomal dominant polycystic kidney disease (ADPKD) is the most prevalent monogenic human disease, but to date, only one therapy (tolvaptan) is approved to treat kidney cysts in ADPKD patients. Cyclin-dependent kinase 5 (CDK5), an atypical member of the cyclin-dependent kinase family, has been implicated as a target for treating ADPKD. However, no compounds have been disclosed to date that selectively inhibit CDK5 while sparing the broader CDK family members. Herein, we report the discovery of CDK5 inhibitors, including GFB-12811 (I), that are highly selective over the other tested kinases. In cellular assays, our compounds demonstrate CDK5 target engagement while avoiding anti-proliferative effects associated with inhibiting other CDKs. In addition, we show that the compounds in this series exhibit promising in vivo PK profiles, enabling their use as tool compounds for interrogating the role of CDK5 in ADPKD and other diseases. After reading the article, we found that the author used Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Product Details of 15366-34-4)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) 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.Product Details of 15366-34-4

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

Application of 20154-03-4In 2021 ,《Metal-Free Direct Oxidative C-N Bond Coupling of Quinoxalin-2(1H)-ones with Azoles under Mild Conditions》 appeared in European Journal of Organic Chemistry. The author of the article were Guo, Jingwen; Zhang, Lina; Du, Xinyue; Zhang, Liting; Cai, Yuepiao; Xia, Qinqin. The article conveys some information:

Direct C3-H amination of quinoxalin-2(1H)-ones with azoles under mild conditions promoted by PIFA has been achieved in good yield in a very fast manner. Mechanistic study revealed that the reaction proceeds through a radical process. In addition, this method could be applied to gram-scale reaction.3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Application of 20154-03-4) was used in this study.

3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4) 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.Application of 20154-03-4

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

Application of 847818-74-0In 2017 ,《Lead Optimization Generates CYP11B1 Inhibitors of Pyridylmethyl Isoxazole Type with Improved Pharmacological Profile for the Treatment of Cushing’s Disease》 appeared in Journal of Medicinal Chemistry. The author of the article were Emmerich, Juliette; van Koppen, Chris J.; Burkhart, Jens L.; Hu, Qingzhong; Siebenbuerger, Lorenz; Boerger, Carsten; Scheuer, Claudia; Laschke, Matthias W.; Menger, Michael D.; Hartmann, Rolf W.. The article conveys some information:

Cushing’s disease, characterized by elevated plasma cortisol levels, can be controlled by inhibition of 11β-hydroxylase (CYP11B1). The previously identified selective and potent CYP11B1 inhibitor 5-((5-methylpyridin-3-yl)methyl)-2-phenylpyridine Ref 7 (IC50= 2 nM) exhibited promutagenic potential as well as very low oral bioavailability in rats (F = 2%) and was therefore modified to overcome these drawbacks. Successful lead optimization resulted in similarly potent and selective 5-((5-methoxypyridin-3-yl)methyl)-3-phenylisoxazole 25 (IC50 = 2 nM, 14-fold selectivity over CYP11B2), exhibiting a superior pharmacol. profile with no mutagenic potential. Furthermore, compound 25 inhibited rat CYP11B1 (IC50 = 2 μM) and showed a high oral bioavailability (F = 50%) and sufficient plasma concentrations in rats, providing an excellent starting point for a proof-of-principle study. After reading the article, we found that the author used 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0Application of 847818-74-0)

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole(cas: 847818-74-0) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, antidiabetic and antibacterial activities. Application of 847818-74-0

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