Day: October 14, 2022

Kwiatkowski, Jacek; Liu, Boping; Pang, Shermaine; Binte Ahmad, Nur Huda; Wang, Gang; Poulsen, Anders; Yang, Haiyan; Poh, Yong Rui; Tee, Doris Hui Ying; Ong, Esther; Retna, Priya; Dinie, Nurul; Kwek, Perlyn; Wee, John Liang Kuan; Manoharan, Vithya; Low, Choon Bing; Seah, Peck Gee; Pendharkar, Vishal; Sangthongpitag, Kanda; Joy, Joma; Baburajendran, Nithya; Jansson, Anna Elisabet; Nacro, Kassoum; Hill, Jeffrey; Keller, Thomas H.; Hung, Alvin W. published an article on January 23 ,2020. The article was titled 《Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2》, and you may find the article in Journal of Medicinal Chemistry.Quality Control of 4-Bromo-5-cyclopropyl-1H-pyrazole The information in the text is summarized as follows:

Dysregulation of translation initiation factor 4E (eIF4E) activity occurs in various cancers. Mitogen-activated protein kinase (MAPK) interacting kinases 1 and 2 (MNK1 and MNK2) play a fundamental role in activation of eIF4E. Structure-activity relationship-driven expansion of a fragment hit led to discovery of dual MNK1 and MNK2 inhibitors based on a novel pyridine-benzamide scaffold. The compounds possess promising in vitro and in vivo pharmacokinetic profiles and show potent on target inhibition of eIF4E phosphorylation in cells. In the experiment, the researchers used 4-Bromo-5-cyclopropyl-1H-pyrazole(cas: 957345-28-7Quality Control of 4-Bromo-5-cyclopropyl-1H-pyrazole)

4-Bromo-5-cyclopropyl-1H-pyrazole(cas: 957345-28-7) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, antipyretic, neuroleptic, anticonvulsant, antiarrhythmic, sedative, muscle relaxant, monoamine oxidase inhibitory, anti-inflammatory, antidiabetic and antibacterial activities. Quality Control of 4-Bromo-5-cyclopropyl-1H-pyrazole

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

In 1977,Gilman, Norman W.; Holland, Betty C.; Walsh, Gregory R.; Fryer, R. Ian published 《Nucleophilic displacement of aromatic fluorine. Part V. Use of nitrogen heterocycles as nucleophiles》.Journal of Heterocyclic Chemistry published the findings.Recommanded Product: 15366-34-4 The information in the text is summarized as follows:

I (R = F) reacted with imidazole, 2-methylimidazole, 3,5-bis(acetoxymethyl)pyrazole, pyrrole, di-Et 2-methyl-4,5-imidazoledicarboxylate, Me pyrrole-2-carboxylate, di-Me pyrazole-3,5-dicarboxylate, and Me pyrazole-3-carboxylate to give N-aryl heterocycles, e.g., II. In some cases the analogous reaction with I (R = Cl) failed to occur. Some substitution reactions of other aromatic fluorides were also examined The results came from multiple reactions, including the reaction of Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Recommanded Product: 15366-34-4)

Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4) belongs to pyrazoles. The application of pyrazole derivatives in the development of anticancer agents has been thoroughly investigated and verified. Moreover, the medicinal features of a number of natural products incorporating pyrazole moiety such as pyrazofurin, pyrazofurin B, pyrazole-3(5)-carboxylic acid and 4-methylpyrazole-3(5)-carboxylic acid have been reported.Recommanded Product: 15366-34-4

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

Formula: C4H3F3N2In 2012 ,《Diversification of pyrazoles by microwave-assisted ligand free copper catalyzed N-arylation》 appeared in Bulletin of the Korean Chemical Society. The author of the article were Suh, Jeehee; Kang, Hee Sung; Kim, Ji-Eun; Yum, Eul Kgun. The article conveys some information:

Simple and efficient N-arylation of pyrazoles was achieved using microwave-assisted catalytic Cu reactions without organic ligands and with short reaction times. The N-arylation of pyrazole could be extended to various substituted pyrazoles and aryl halides. Yields of N-arylpyrazoles were highly dependent on the steric and electronic effects of the pyrazole substituents. Further functionalization of N-arylated iodopyrazoles in Cu- and Pd-catalyzed coupling reactions exhibited promising results for the diversification of pyrazoles. In the experiment, the researchers used 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Formula: C4H3F3N2)

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.Formula: C4H3F3N2

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

Safety of Methyl 1H-pyrazole-3-carboxylateIn 2011 ,《Esterification of pyrazole-3- and 4-carboxylic acids》 appeared in Russian Journal of General Chemistry. The author of the article were Saakyan, A. A.. The article conveys some information:

The esterification of pyrazole-3- and 4-carboxylic acids with MeOH was described.Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Safety of Methyl 1H-pyrazole-3-carboxylate) was used in this study.

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.Safety of Methyl 1H-pyrazole-3-carboxylate

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

《Synthesis of halosulfuron-methyl via selective chlorination at the 3- and/or 5-position of pyrazole-4-carboxylates》 was written by Morimoto, Katsushi; Sato, Toshiaki; Yamamoto, Susumu; Takeuchi, Hiroshi. Reference of Methyl 1-methyl-1H-pyrazole-4-carboxylate And the article was included in Journal of Heterocyclic Chemistry on April 30 ,1997. The article conveys some information:

Heating Me pyrazole-4-carboxylates I (X = Cl, Y = H; X = H, Y = Cl; X = Y = H) with N-chlorosuccinimide without a solvent gave I (X = Y = Cl) in good yields. Reaction of I (X = Y = H) with NaSH led to nucleophilic substitution on the 5-position regioselectively to afford I (X = Cl, Y = SH); subsequent oxidative chlorination and amination gave I (X = Cl, Y = SO2NH2). Finally, the reaction of I (X = Cl, Y = SO2NH2) with Ph 4,6-dimethoxy-2-pyrimidinyl carbamate provided halosulfuron-Me (II), a promising herbicide for cornfields. In the experimental materials used by the author, we found Methyl 1-methyl-1H-pyrazole-4-carboxylate(cas: 5952-93-2Reference of Methyl 1-methyl-1H-pyrazole-4-carboxylate)

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.Reference of Methyl 1-methyl-1H-pyrazole-4-carboxylate

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

Safety of 2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acidOn October 31, 1981 ,《1,3-Dipolar addition of pyridine N-imine to acetylenes and the use of carbon-13 NMR in several structural assignments》 appeared in Journal of Heterocyclic Chemistry. The author of the article were Anderson, Paul L.; Hasak, James P.; Kahle, Alicia D.; Paolella, Nicholas A.; Shapiro, Michael J.. The article conveys some information:

Addition of pyridine N-imine to EtO2CCCR (R = H, Me, Ph) or MeO2CCCCO2Me gave I (same R) or II, resp. Several of the 3-azapyrrocoline esters obtained were further converted into acids, amides and hydrazides. The experimental part of the paper was very detailed, including the reaction process of 2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid(cas: 80537-07-1Safety of 2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid)

2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid(cas: 80537-07-1) belongs to pyrazoles. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, monoamine oxidase inhibitory, anti-inflammatory, antipyretic, neuroleptic, anticonvulsant, antiarrhythmic, sedative, muscle relaxant, antidiabetic and antibacterial activities. Safety of 2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid

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