pyrazoles-derivatives

In 2012,Gaulier, Steven M.; McKay, Reuben; Swain, Nigel A. published 《A novel three-step synthesis of celecoxib via palladium-catalyzed direct arylation [Erratum to document cited in CA155:562830]》.Tetrahedron Letters published the findings.Category: pyrazoles-derivatives The information in the text is summarized as follows:

On page 6001, Compound 4 in Scheme 1 contained a structure error; the corrected scheme is given. The results came from multiple reactions, including the reaction of 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Category: pyrazoles-derivatives)

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.Category: pyrazoles-derivatives

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

Formula: C4H3F3N2In 2015 ,《Ruthenaphosphaalkenyls: synthesis, structures, and their conversion to η2-phosphaalkene complexes》 was published in Organometallics. The article was written by Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.. The article contains the following contents:

The ruthenaphosphaalkenyls [Ru{P:CH(SiMe2R)}Cl(CO)(PPh3)2] (R = Me, Ph, Tol) have been prepared in good yield by the facile hydroruthenation of the resp. phosphaalkynes, RMe2SiCP, with [RuHCl(CO)(PPh3)3]; all three compounds have been structurally characterized in the solid state. Complemented by DFT studies of these, and the precedent [Ru{P:CH(tBu)}Cl(CO)(PPh3)2], the phosphaalkenyl moieties have been established unequivocally to behave as one-electron donors to the coordinately unsaturated, 15-electron “”RuCl(CO)(PPh3)2″” fragment, corroborating an earlier demonstration of nucleophilic character at phosphorus within the tert-Bu system. Notwithstanding, the ruthenaphosphaalkenyls are shown to react with the nucleophiles Lipz’ (pz’ = pz, pz*, pzH,CF3, pzMe,CF3) to afford the η1,η2-chelated pyrazolylphosphaalkene complexes [Ru{η1-N:η2-P,C-P(pz’):CH(R)}(CO)(PPh3)2], which feature a three-membered metallacyclic (Ru-C-P) core. The nature of these novel compounds is discussed, alongside preliminary insight into the process by which they are formed. The results came from multiple reactions, including the reaction of 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

《Lewis base-catalyzed intermolecular triazene alkyne cycloaddition for late-stage functionalization and scaffold diversification》 was written by Lv, Shuaipeng; Zhou, Hui; Yu, Xin; Xu, Yue; Zhu, Huijuan; Wang, Min; Liu, Haitao; Dai, Ziru; Sun, Guibo; Gong, Xiaojie; Sun, Xiaobo; Wang, Lei. Category: pyrazoles-derivativesThis research focused ontriazene 3 Trifluoromethylpyrazole cycloaddition Lewis base platelet aggregation inhibitor. The article conveys some information:

3-Trifluoromethylpyrazole and its derivatives are of major interest to both the agrochem. and pharmaceutical industry for their diverse biol. activities. Reported routes for the synthesis of 3-trifluoromethylpyrazoles are hindered by poor regioselectivity and limited scope of application. Here we report a directed Lewis base catalyzed intermol. triazene-alkyne cycloaddition It is featured that the combination of 1,8-diazabicyclo[5.4.0]undec-7-ene and 2,2,2-trifluorodiazoethane produces reactive triazene intermediates, which readily participate in cycloaddition reactions with terminal/internal alkynes, thus assembling densely substituted 3-trifluoromethylpyrazole scaffolds with environmental friendliness and operational simplicity. Synthetic utility of the protocol is highlighted by late-stage functionalization and scaffolds diversification. The practical value is also emphasized in potential platelet aggregation inhibitor synthesis. In addition to this study using 3-(Trifluoromethyl)-1H-pyrazole, there are many other studies that have used 3-(Trifluoromethyl)-1H-pyrazole(cas: 20154-03-4Category: pyrazoles-derivatives) 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.Category: pyrazoles-derivatives

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

《One-step preparation of ammonium-specified pyrazolium ionic liquids unveil the more popular pathway for the CO2 fixation: Integrated experimental and theoretical studies》 was written by Zhu, Xinrui; Zhang, Jingshun; Zhang, Zhengkun; Liu, Fang; Hu, Yuhang; Liu, Yi; Ren, Tiegang; Wang, Li; Zhang, Jinglai. Computed Properties of C4H6N2 And the article was included in Journal of Molecular Liquids on April 15 ,2021. The article conveys some information:

Amino-specified pyrazolium ionic liquid (APEPzBr) is synthesized by two steps. It is interesting that the product of the first step ([EPzPNH3]Br2) could also catalyze the coupling reaction of carbon dioxide and epoxides under 70°C along with 0.5 MPa CO2 pressure, which is even more benign than APEPzBr. It is attributed to the strong ability of [EPzPNH3]Br2 to absorb CO2 along with robust electrophilic activation, which is testified by d. functional theory and 13C NMR measurement. The difference between [EPzPNH3]Br2 and APEPzBr is further elucidated by electron localization function (ELF) and atoms in mols. (AIM). 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. 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.Computed Properties of C4H6N2

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

HPLC of Formula: 29004-73-7On March 31, 2020, Wu, Yumeng; Tang, Chengrun; Rui, Ruomei; Yang, Liumeng; Ding, Wei; Wang, Jiangyuan; Li, Yiming; Lai, Christopher C.; Wang, Yueping; Luo, Ronghua; Xiao, Weilie; Zhang, Hongbing; Zheng, Yongtang; He, Yanping published an article in Acta Pharmaceutica Sinica B. The article was 《Synthesis and biological evaluation of a series of 2-(((5-akly/aryl-1H-pyrazol-3-yl)methyl)thio)-5-alkyl-6-(cyclohexylmethyl)-pyrimidin-4(3H)-ones as potential HIV-1 inhibitors》. The article mentions the following:

A series of 2-(((5-akly/aryl-1H-pyrazol-3-yl)methyl)thio)-5-alkyl-6-(cyclohexylmethyl)-pyrimidin-4(3H)-ones I [R1 = H, Me, Ph, etc.; R2 = H, Me, Et; X = H, Cl] were synthesized and their anti-HIV-1 activities were evaluated. Most of these compounds were highly active against wild-type (WT) HIV-1 strain (IIIB) with EC50 values in the range of 0.0038-0.4759μmol/L. Among those compounds,I [R1 = 4-hydroxyphenyl, R2 = Et, X = H (II)] had an EC50 value of 3.8 nmol/L and SI (selectivity index) of up to 25,468 indicating excellent activity against WT HIV-1. In vitro anti-HIV-1 activity and resistance profile studies suggested that compounds (II) and I [R1 = 4-(methylsulfanyl)phenyl, R2 = Et, X = H (III)] displayed potential anti-HIV-1 activity against laboratory adapted strains and primary isolated strains including different subtypes and tropism strains (EC50s range from 4.3 to 63.6 nmol/L and 18.9-219.3 nmol/L, resp.). On the other hand, it was observed that those two compounds (II) and (III) were less effective with EC50 values of 2.77 and 4.87μmol/L for HIV-1A17 (K103N + Y181C). The activity against reverse transcriptase (RT) was also evaluated for those compounds Both (II) and (III) obtained sub-micromolar IC50 values showed their potential in RT inhibition. The pharmacokinetics examination in rats indicated that compound (II) has acceptable pharmacokinetic properties and bioavailability. Preliminary structure-activity relationships and mol. modeling studies were also discussed. In the experiment, the researchers used (3-methyl-1H-pyrazol-5-yl)methanol(cas: 29004-73-7HPLC of Formula: 29004-73-7)

(3-methyl-1H-pyrazol-5-yl)methanol(cas: 29004-73-7) 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: 29004-73-7

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

Related Products of 52096-24-9On March 31, 2013, Fokin, S. V.; Kostina, E. T.; Tret’yakov, E. V.; Romanenko, G. V.; Bogomyakov, A. S.; Sagdeev, R. Z.; Ovcharenko, V. I. published an article in Russian Chemical Bulletin. The article was 《Spin transition in the molecular heterospin complex of Cu(hfac)2 with 4,4,5,5-tetramethyl-2-(1-methylpyrazol-5-yl)-4,5-dihydroimidazole-1-oxyl 3-oxide》. The article mentions the following:

The synthesis, structure, and magnetic properties of the products of the reaction for Cu(hfac)2 (hfac is hexafluoroacetylacetonate) with spin-labeled nitronyl nitroxides 4,4,5,5-tetramethyl-2-(1-R-1H-pyrazol-5-yl)-3-imidazoline-1-oxyl 3-oxides L5/R (R = Me, Et, Pr, Bu), viz., binuclear complex [Cu(hfac)2L5/Me]2 and chain polymer complexes [Cu(hfac)2L5/R]n, are described. The polymer heterospin chains are built according to head-to-head (R = Me, Et, Pr, Bu) and head-to-tail (R = Pr, Bu) motifs. [Cu(hfac)2L5/Me]2 was characterized by the ability to reveal the reversible effect of thermally induced spin transition at a temperature ∼75 K (without hysteresis). In the set of heterospin CuII compounds with spin-labeled pyrazoles, this is the earlier unknown example of a mol. complex exhibiting a similar magnetic anomaly. In addition to this study using 1-Butyl-1H-pyrazole, there are many other studies that have used 1-Butyl-1H-pyrazole(cas: 52096-24-9Related Products of 52096-24-9) was used in this study.

1-Butyl-1H-pyrazole(cas: 52096-24-9) 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. Related Products of 52096-24-9

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

Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir published an article in Inorganic Chemistry. The title of the article was 《Synthesis, Structure, and Magnetic Properties of (6-9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides》.Safety of 1-Butyl-1H-pyrazole The author mentioned the following in the article:

New polynuclear nickel trimethylacetates [Ni6(OH)4(C5H9O2)8(C5H10O2)4] (6), [Ni7(OH)7(C5H9O2)7(C5H10O2)6(H2O)]·0.5C6H14·0.5H2O (7), [Ni8(OH)4(H2O)2(C5H9O2)12] (8), and [Ni9(OH)6(C5H9O2)12(C5H10O2)4]·C5H10O2·3H2O (9), where C5H9O2 is trimethylacetate and C5H10O2 is trimethylacetic acid, were found. Their structures were determined by x-ray crystallog. Because of their high solubility in low-polarity organic solvents, compounds 6-9 reacted with stable organic radicals to form the first heterospin compounds based on polynuclear Ni(II) trimethylacetate and nitronyl nitroxides containing pyrazole (L1-L3), Me (L4), or imidazole (L5) substituent groups, resp., in side chains [Ni7(OH)5(C5H9O2)9(C5H10O2)2(L1)2(H2O)]·0.5C6H14·H2O (6+1a), [Ni7(OH)5(C5H9O2)9(C5H10O2)2(L2)2(H2O)]·H2O (6+1b), [Ni7(OH)5(C5H9O2)9(C5H10O2)2(L3)2(H2O)]·H2O (6+1c), [Ni6(OH)3(C5H9O2)9(C5H10O2)4(L4)]·1.5C6H14 (6”), and [Ni4(OH)3(C5H9O2)5(C5H10O2)4(L5)]·1.5C7H8 (4). Their structures were also determined by x-ray crystallog. Although Ni(II) trimethylacetates may have varying nuclearity and can change their nuclearity during recrystallization or interactions with nitroxides, this family of compounds is easy to study because of its topol. relation. For any of these complexes, the polynuclear framework may be derived from the [Ni6] polynuclear fragment {Ni6(μ4-OH)2(μ3-OH)2(μ2-C5H9O2-O,O’)6(μ2-C5H9O2-O,O)(μ4-C5H9O2-O,O,O’,O’)(C5H10O2)4}, which is shaped like an open book. From this fragment, the structure of 7-nuclear compounds (7 and 6+1a-c) is conveniently represented as the result of sym. addition of other mononuclear fragments to the four Ni(II) ions lying at the vertexes of the [Ni6] open book. The 9-nuclear complex is formed by the addition of trinuclear fragments to two Ni(II) ions lying on one of the lateral edges of the [Ni6] open book. This wing of the 9-nuclear complex preserves its structure in another type of 6-nuclear complex (6”) with the boat configuration. If, however, two edge-sharing Ni(II) ions are removed from [Ni6] (one of these lies at a vertex of the open book and the other, on the book-cover line), one obtains a 4-nuclear fragment recorded in the mol. structure of 4. Twinning of this 4-nuclear fragment forms highly sym. mol. 8, which is a new chem. version of cubane. In the part of experimental materials, we found many familiar compounds, such as 1-Butyl-1H-pyrazole(cas: 52096-24-9Safety of 1-Butyl-1H-pyrazole)

1-Butyl-1H-pyrazole(cas: 52096-24-9) 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. Safety of 1-Butyl-1H-pyrazole

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

Washizuka, Ken-Ichi; Nagai, Keiko; Minakata, Satoshi; Ryu, Ilhyong; Komatsu, Mitsuo published their research in Tetrahedron Letters on December 10 ,1999. The article was titled 《Novel generation of azomethine imines from α-silyl nitrosamines by 1,4-silatropic shift and their cycloaddition》.Electric Literature of C6H8N2O2 The article contains the following contents:

The novel and facile generation of azomethine imines from α-silyl nitrosamines and their subsequent cycloaddition with dipolarophiles leading to a variety of pyrazoles is described. The key to the reaction is a 1,4-silatropic shift caused by strong affinity of the nitroso O atom toward the Si atom. Thus, α-silyl nitrosamines are treated with 1 equivalent of dipolarophile in refluxing PhMe for 1 h to give pyrazoles in good to excellent yields. The experimental part of the paper was very detailed, including the reaction process of Methyl 1-methyl-1H-pyrazole-4-carboxylate(cas: 5952-93-2Electric Literature of C6H8N2O2)

Methyl 1-methyl-1H-pyrazole-4-carboxylate(cas: 5952-93-2) 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. Electric Literature of C6H8N2O2

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

In 2010,Lyalin, B. V.; Petrosyan, V. A.; Ugrak, B. I. published 《Electrosynthesis of 4-iodopyrazole and its derivatives》.Russian Chemical Bulletin published the findings.Product Details of 15366-34-4 The information in the text is summarized as follows:

Electrosynthesis of 4-iodopyrazoles I (R1 = Me, O2N, H, etc.; R2 = H, Me) in up to 86% yields by iodination of the corresponding precursors on a Pt-anode in aqueous solutions of KI under conditions of the diaphragm galvanostatic electrolysis is reported.Methyl 1H-pyrazole-3-carboxylate(cas: 15366-34-4Product Details of 15366-34-4) was used in this study.

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.Product Details of 15366-34-4

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

In 2019,Frontiers in Pharmacology included an article by Shim, Heesung; Brown, Brandon M.; Singh, Latika; Singh, Vikrant; Fettinger, James C.; Yarov-Yarovoy, Vladimir; Wulff, Heike. Name: 3-(Trifluoromethyl)-1H-pyrazole. The article was titled 《The trials and tribulations of structure assisted design of KCa channel activators》. The information in the text is summarized as follows:

Calcium-activated K+ channels constitute attractive targets for the treatment of neurol. and cardiovascular diseases. To explain why certain 2-aminobenzothiazole/oxazole-type KCa activators (SKAs) are KCa3.1 selective we previously generated homol. models of the C-terminal calmodulin-binding domain (CaM-BD) of KCa3.1 and KCa2.3 in complex with CaM using Rosetta modeling software. We here attempted to employ this atomistic level understanding of KCa activator binding to switch selectivity around and design KCa2.2 selective activators as potential anticonvulsants. In this structure-based drug design approach we used RosettaLigand docking and carefully compared the binding poses of various SKA compounds in the KCa2.2 and KCa3.1 CaM-BD/CaM interface pocket. Based on differences between residues in the KCa2.2 and KCa.3.1 models we virtually designed 168 new SKA compounds The compounds that were predicted to be both potent and KCa2.2 selective were synthesized, and their activity and selectivity tested by manual or automated electrophysiol. However, we failed to identify any KCa2.2 selective compounds Based on the full-length KCa3.1 structure it was recently demonstrated that the C-terminal crystal dimer was an artifact and suggested that the “”real”” binding pocket for the KCa activators is located at the S4-S5 linker. We here confirmed this structural hypothesis through mutagenesis and now offer a new, corrected binding site model for the SKA-type KCa channel activators. SKA-111 (5-methylnaphtho[1,2-d]thiazol-2-amine) is binding in the interface between the CaM N-lobe and the S4-S5 linker where it makes van der Waals contacts with S181 and L185 in the S45A helix of KCa3.1. The experimental part of the paper was very detailed, including the reaction process of 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