Tag: 100-200

Application of 844501-71-9In 2016 ,《Overcoming resistance to HER2 inhibitors through state-specific kinase binding》 appeared in Nature Chemical Biology. The author of the article were Novotny, Chris J.; Pollari, Sirkku; Park, Jin H.; Lemmon, Mark A.; Shen, Weijun; Shokat, Kevan M.. The article conveys some information:

The heterodimeric receptor tyrosine kinase complex formed by HER2 and HER3 can act as an oncogenic driver and is also responsible for rescuing a large number of cancers from a diverse set of targeted therapies. Inhibitors of these proteins, particularly HER2, have dramatically improved patient outcomes in the clinic, but recent studies have demonstrated that stimulating the heterodimeric complex, either via growth factors or by increasing the concentrations of HER2 and HER3 at the membrane, significantly diminishes the activity of the inhibitors. To identify an inhibitor of the active HER2-HER3 oncogenic complex, the authors developed a panel of Ba/F3 cell lines suitable for ultra-high-throughput screening. Medicinal chem. on the hit scaffold resulted in a previously uncharacterized inhibitor that acts through preferential inhibition of the active state of HER2 and, as a result, is able to overcome cellular mechanisms of resistance such as growth factors or mutations that stabilize the active form of HER2. In the experiment, the researchers used 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

Hou, Zhong-Wei; Li, Laiqiang; Wang, Lei published their research in Organic Chemistry Frontiers in 2021. The article was titled 《Organocatalytic electrochemical amination of benzylic C-H bonds》.Product Details of 20154-03-4 The article contains the following contents:

An organocatalytic site-selective electrochem. method for the benzylic C-H amination reactions of alkylarenes with azoles through hydrogen evolution was developed. The protocol proceeds in an undivided cell under mild conditions and employs 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) as a redox catalyst to generate carbocations, which obviates the need for transition-metal reagents or sacrificial chem. oxidants. In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Product Details of 20154-03-4)

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

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

In 2018,Journal of Medicinal Chemistry included an article by Li, Daqiang; Zhang, Xiaotuan; Ma, Xiaodong; Xu, Lei; Yu, Jianjun; Gao, Lixin; Hu, Xiaobei; Zhang, Jiankang; Dong, Xiaowu; Li, Jia; Liu, Tao; Zhou, Yubo; Hu, Yongzhou. Formula: C5H6N2O2. The article was titled 《Development of macrocyclic peptides containing epoxyketone with oral availability as proteasome inhibitors》. The information in the text is summarized as follows:

Macrocyclization has been frequently utilized for optimizing peptide or peptidomimetic-based compounds In an attempt to obtain potent, metabolically stable, and orally available proteasome inhibitors, 30 oprozomib-derived macrocyclic peptides with structural diversity in their N-terminus and linker were successively designed and synthesized for structure-activity relationship (SAR) studies. As a consequence, the macrocyclic peptides with N-methyl-pyrazole, imidazole, and pyrazole as their resp. N-termini exhibited favorable in vitro activity and metabolic stability, which translated into their potent in vivo proteasome inhibitory activity after oral administration. In particular, pyrazole-containing compound (I), as the most distinguished one among this series, displayed excellent chymotrypsin-like (ChT-L, β5) inhibitory potency (IC50 = 16 nM), low nanomolar antiproliferative activity against all three of the tested cell lines, and superior metabolic stability in mouse liver microsome (MLM), as well as favorable inhibition against ChT-L compared to that of oprozomib in BABL/c mice following administration at a comparatively low dose, thereby representing a promising candidate for further development. The results came from multiple reactions, including the reaction of Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Formula: C5H6N2O2)

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.Formula: C5H6N2O2

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

In 2018,Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie; Zheng, Shao-Liang published 《Correction to Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles [Erratum to document cited in CA167:278955]》.Journal of Organic Chemistry published the findings.Name: 3-(Trifluoromethyl)-1H-pyrazole The information in the text is summarized as follows:

There are errors in Table 2 on page 8867; the correct table is provided here. In the experimental materials used by the author, we found 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Name: 3-(Trifluoromethyl)-1H-pyrazole)

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

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

In 2017,Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang published 《Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles》.Journal of Organic Chemistry published the findings.Safety of 3-(Trifluoromethyl)-1H-pyrazole The information in the text is summarized as follows:

A systematic study of the N-substitution reactions of 3-substituted pyrazoles under basic conditions was undertaken. N1-Alkyl-, aryl-, and heteroarylpyrazoles were prepared regioselectively in 28-96% yields and in 3:1->99:1 regioselectivities by alkylation or arylation of 3-nitro-, 3-trifluoromethyl, 3-Me, 3-bromo-, 3-phenylpyrazoles and Et 3-pyrazolecarboxylate with alkyl bromides and iodides and electron-deficient aryl fluorides using K2CO3 as base in DMSO. DFT calculations of the at. charges at the pyrazole nitrogens in the pyrazolate anions were consistent with the observed regioselectivities; steric effects were observed in alkylations of pyrazoles. The structures of twenty-five of the pyrazole products were determined by X-ray crystallog. In the part of experimental materials, we found many familiar compounds, such as 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Safety of 3-(Trifluoromethyl)-1H-pyrazole)

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

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

In 2017,Garg, Vineeta; Kumar, Pradeep; Verma, Akhilesh K. published 《Chemo-, Regio-, and Stereoselective N-Alkenylation of Pyrazoles/Benzpyrazoles Using Activated and Unactivated Alkynes》.Journal of Organic Chemistry published the findings.Application In Synthesis of 3-(Trifluoromethyl)-1H-pyrazole The information in the text is summarized as follows:

Transition-metal-free chemo-, regio-, and stereoselective synthesis of (Z) and (E) styryl pyrazoles and benzpyrazoles by the addition of N-heterocycles onto functionalized terminal and internal alkynes using a super basic solution of KOH/DMSO has been described. The stereochem. outcome of the reaction was governed by time and quantity of the base. The reaction of pyrazoles and benzpyrazoles onto alkynes takes place chemoselectively without affecting the free -NH2 group of pyrazoles and -OH group of alkynes. The designed protocol was well implemented on alkynes bearing long alkyl chain, an alicyclic ring, hydroxy, ether, and ester functionality, which offer the N-alkenylated products in good yields. This developed methodol. also provides easy access for the synthesis of bis-vinylated heterocycles. The presence of free -NH2, -OH, -COOR, and halo group in styryl pyrazoles, could be further utilized for synthetic elaboration, which is advantageous for biol. evaluation. For the first time, we have disclosed the base-mediated conversion of (Z)-styryl pyrazoles to (E)-styryl pyrazoles in KOH/DMSO system. The cis-trans isomerization was supported by the control experiments and deuterium labeling studies. The results came from multiple reactions, including the reaction of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Application In Synthesis of 3-(Trifluoromethyl)-1H-pyrazole)

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

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

In 1989,Coe, Paul L.; Cook, Michael I. published 《Reactions of tetrafluoroethene oligomers. Part XII. Cycloaddition reactions of 3,3,4,4,4-pentafluoro-2-(pentafluoroethyl)-2-(trifluoromethyl)diazobutane. A novel synthesis of pyrazoles》.Journal of Fluorine Chemistry published the findings.Computed Properties of C5H6N2O2 The information in the text is summarized as follows:

The title diazoalkane I reacts smoothly with a variety of electron-deficient alkenes to give, unexpectedly, pyrazole derivatives Thus, reaction with Me or Et propenoate affords the Me and Et esters of pyrazole-3-carboxylic acid. Reaction with di-Et maleate yields 3,4-bis(ethoxycarbonyl)pyrazole, and di-Me maleate gives the di-Me ester II. Treatment of I with propenonitrile afforded 3-cyanopyrazole, and with propenoic acid pyrazole-3-carboxylic acid was obtained. In all of these reactions two side products were isolated, namely perfluoro(3-methylpent-2-ene) and 3H-3-trifluoromethyldecafluoropentane. A mechanistic rationale for these unusual and potentially useful reactions is given. The experimental part of the paper was very detailed, including the reaction process of Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Computed Properties of C5H6N2O2)

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.Computed Properties of C5H6N2O2

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

In 2019,New Journal of Chemistry included an article by Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.. Application of 114474-26-9. The article was titled 《Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid》. The information in the text is summarized as follows:

Five pyrazole-based tripodal ligands, compounds1-5 (I,II,III,IV,V), based on a 1,3,5-triethylbenzene scaffold, show aggregation-induced emission enhancement (AIEE) and their application as fluorescent probes for detection of nitroaroms. is investigated. All five compounds are weakly fluorescent in THF, but their fluorescence intensity increases with the addition of a poor solvent (water), causing nanoaggregation, as confirmed by the changes in the UV-vis and emission spectra, and light scattering techniques. The nanoaggregates exhibit time-dependent emission characteristics and can serve as sensors for the detection of nitroarom. compounds The selective detection of picric acid (PA) over other nitroarom. compounds by 1-3 (I-III) is attributed to the photoinduced electron transfer from the trispyrazole to the quencher, as confirmed by TD-DFT calculations Furthermore, compounds 1(I) and 2 (II) were tested for sensing of PA in the vapor and solid phases by means of changes in the emission spectra observable by the naked eye. The supramol. assemblies of 1(I) and 3(III) with PA were structurally characterized by X-ray crystallog. In addition to this study using 4-(4-Nitrophenyl)-1H-pyrazole, there are many other studies that have used 4-(4-Nitrophenyl)-1H-pyrazole(cas: 114474-26-9Application of 114474-26-9) was used in this study.

4-(4-Nitrophenyl)-1H-pyrazole(cas: 114474-26-9) 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. Application of 114474-26-9

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

SDS of cas: 20154-03-4In 2012 ,《Pyrazoles as ligands for the Rh-catalyzed hydroformylation of alkenes in supercritical carbon dioxide》 appeared in Russian Chemical Bulletin. The author of the article were Lyubimov, S. E.; Rastorguev, E. A.; Davankov, V. A.. The article conveys some information:

Activity of pyrazole ligands in hydroformylation of a number of unsaturated terminal substrates in supercritical carbon dioxide (scCO2) in the presence of Rh-catalyst was studied. The ligands without free NH group at position 1 of the pyrazole ring were active. The use of scCO2 as the reaction medium served to reach a higher conversion and regioselectivity of hydroformylation as compared to those in toluene. In addition to this study using 3-(Trifluoromethyl)-1H-pyrazole, there are many other studies that have used 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4SDS of cas: 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.SDS of cas: 20154-03-4

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

SDS of cas: 15366-34-4In 2008 ,《Effects of Introduction of Hydrophobic Group on Ribavirin Base on Mutation Induction and Anti-RNA Viral Activity》 was published in Journal of Medicinal Chemistry. The article was written by Moriyama, Kei; Suzuki, Tetsuya; Negishi, Kazuo; Graci, Jason D.; Thompson, Corinne N.; Cameron, Craig E.; Watanabe, Masahiko. The article contains the following contents:

One of the possible mechanisms of antiviral action of ribavirin (1-β-D-ribofuranosyl-1,2,4-triazole-3-carboxamide, 1) is the accumulation of mutations in viral genomic RNA. The ambiguous incorporation of 5′-triphosphate of ribavirin (RTP, 8) by a viral RNA-dependent RNA polymerase (RdRp) is a key step of the mutation induction. The authors synthesized three ribavirin analogs that possess hydrophobic groups, 4-iodo-1-β-D-ribofuranosylpyrazole-3-carboxamide (I), 4-propynyl-1-β-D-ribofuranosylpyrazole-3-carboxamide (II), and 4-phenylethynyl-1-β-D-ribofuranosylpyrazole-3-carboxamide (III), and the corresponding triphosphates (IV, V, and VI, resp.). Steady-state kinetics anal. of the incorporation of these triphosphate analogs by a poliovirus RdRp, 3Dpol, revealed that while the incorporation efficiency of IV was comparable to RTP, V and VI showed lower efficiency than RTP. Antipolioviral activity of I and II was much more moderate than ribavirin, and III showed no antipolioviral activity. Effects of substituting groups on the incorporation efficiency by 3Dpol and a strategy for a rational design of more active ribavirin analogs are discussed. In the experimental materials used by the author, we found Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4SDS of cas: 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.SDS of cas: 15366-34-4

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