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New 1,2,3-Triazole-Containing Hybrids as Antitumor Candidates: Design, Click Reaction Synthesis, DFT Calculations, and Molecular Docking Study

In an effort to improve and achieve biologically active anticancer agents, a novel series of 1,2,3-triazole-containing hybrids were designed and efficiently synthesized via the Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reaction of substituted-arylazides with alkyne-functionalized pyrazole-[1,2,4]-triazole hybrids. The structure geometry of these new clicked 1,2,3-triazoles was explored by density functional theory (DFT) using the B3LYP/6-311++G(d,p) level; also, the potential activity of the compounds for light absorption was simulated by time-dependent DFT calculations (TD-DFT). The antitumor impacts of the newly synthesized compounds were in vitro estimated to be towards the human liver cancer cell line (HepG-2), the human colon cancer cell line (HCT-116), and human breast adenocarcinoma (MCF-7). Among the tested compounds, conjugate 7 was the most potent cytotoxic candidate towards HepG-2, HCT-116, and MCF-7, with IC50 = 12.22, 14.16, and 14.64 mu M, respectively, in comparison to that exhibited by the standard drug doxorubicin (IC50 = 11.21, 12.46, and 13.45 mu M). Finally, a molecular docking study was conducted within the epidermal growth factor receptor (EGFR) active site to suggest possible binding modes. Hence, it could conceivably be hypothesized that analogies 7, 6, and 5 could be considered as decent lead candidate compounds for anticancer agents.

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

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Quinolinyl-pyrazoles: synthesis and pharmacological evolution in the recent decennial

In the recent decade, the study on N-heterocycles has dramatically increased due to its versatility in many significant fields and because of its distinctive battle which is associated with the bioassay and its interaction with the cells. These novel heterocycles are designed and synthesized by chemists through new strategies on par with the reported methods. Subsequently, the synthesized molecules were screened for their efficacy against the typical drugs in the market. In this article, recently unveiled pharmacologically important quinoline allied pyrazoles have been reviewed. Moreover, this review gives a bird’s-eye view of different methods adopted for synthesis in addition to the conventional approaches and also detailed study of the bioactive quinolinyl-pyrazole heterocycle when compared with standard drug-associated/having efficient molecule. We believe that this review will inspire synthetic as well as medicinal chemists who are in quest of less toxic and more potent quinolinyl-pyrazoles for the treatment of various health threats. [GRAPHICS] .

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Pyrazole – Wikipedia,
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In an article, author is Metwally, Nadia Hanafy, once mentioned the application of 37622-90-5, Computed Properties of C6H8N2O2, Name is Ethyl 4-pyrazolecarboxylate, molecular formula is C6H8N2O2, molecular weight is 140.14, MDL number is MFCD00010844, category is pyrazoles-derivatives. Now introduce a scientific discovery about this category.

Synthesis, reactions, and antimicrobial activity of2-cyano-N ‘-(4-(2-oxo-2-phenylethoxy)benzylidene)acetohydrazide derivatives

Knovenagel condensation of the starting 2-cyano-N ‘-(4-(2-oxo-2-phenylethoxy)-benzylidene)acetohydrazide with different aromatic aldehydes produced the comparable arylidenes derivatives. Else way, 2-cyano-N ‘-(4-(2-oxo-2-phenylethoxy)-benzylidene)-acetohydrazide condensed witho-hydroxybenzaldehydes affording the respective chromenes which latter underwent acid hydrolysis giving the oxo-chromenes analogues. Moreover, the reaction of 2-cyano-N ‘-(4-(2-oxo-2-phenylethoxy)benzylidene)acetohydrazide with istain yielded the respective indeno[2,1-b]furan derivative that was converted to its oxo-analogue through acid hydrolysis. The treatment of 2-cyano-N ‘-(4-(2-oxo-2-phenylethoxy)benzylidene)acetohydrazide with alpha-halocompounds produced the relevant thiazoles. The enamine 2-cyano-3-(dimethylamino)-N ‘-(4-(2-oxo-2-phenylethoxy)benzylidene)acrylohydrazide underwent nucleophilic substitution reaction with guanidine hydrochloride followed by heterocyclization to get the relative aminopyrimidine. Contrarily, the reaction with various 4-arylazo-3,5-diaminopyrazoles provided the relative pyrazolo[1,5-a]pyrimidines. The antimicrobial investigation was carried out for some of the newly synthesized compounds using agar well diffusion method.

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 37622-90-5, Name is Ethyl 4-pyrazolecarboxylate, formurla is C6H8N2O2. In a document, author is Khachatryan, H. N., introducing its new discovery. SDS of cas: 37622-90-5.

Vinylacidic Acid in the Reaction of Aza-Michael with 1-Ethylpyrazole

Commercial vinylacetic acid is a mixture of isomers of but-3-enoic and but-2-enoic acids. It was shown that but-3-enoic acid undergoes isomerization in the presence of a catalytic amount of 1-ethylpyrazole. The resultingZ- andE-isomers of but-2-enoic acid enter the aza-Michael reaction with pyrazole. The(1)H NMR analysis showed that by the end of the experiment the ratio of unreactedZ- andE-isomers of but-2-enoic acid in the reaction mixture decreased by half (to 3 : 1), which pointed to a higher reactivity of theZ-isomer.

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Pyrazole – Wikipedia,
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New explortion of C6H8N2O2

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Related Products of 37622-90-5, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 37622-90-5, Name is Ethyl 4-pyrazolecarboxylate, SMILES is C1=N[NH]C=C1C(OCC)=O, belongs to pyrazoles-derivatives compound. In a article, author is Mirjalili, Bi Bi Fatemeh, introduce new discover of the category.

Nano-SiO2/hexamethylenetetramine promoted synthesis of pyrano[2,3-c] pyrazoles under solvent-free conditions

In this study, the nano-SiO2/hexamethylenetetramine as a new basic heterogeneous nanocatalyst was prepared and used for the synthesis of pyranopyrazole via the four-component reaction. Various aldehydes, hydrazine hydrate, ethyl acetoacetate and malononitrile were reacted at room temperature under solvent-free and grinding conditions. The morphology and structure of nano-catalyst were investigated by techniques such as FT-IR spectroscopy, FESEM, TEM, XRD, CHNS elemental analyzer and TGA. The structure of pyranopyrazoles was determined by spectroscopic data of FTIR and NMR. The principal affairs of this procedure are easy work-up, high yields, mild conditions and short reaction times.

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More research is needed about Ethyl 4-pyrazolecarboxylate

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Synthesis and crystal structure of tert-butyl (2 ‘ R,3R,3 ‘ R,4a ‘ R,9a ‘ S)-1-acetyl-5-chloro-3 ”-methyl-2,5 ”,9 ‘-trioxo-1 ”-phenyl-1 ”,4a ‘,5 ”, 9a ‘-tetrahydro-1 ‘ H,3 ‘ H,9 ‘ H-dispiro[indoline-3,4 ‘-xanthene-2 ‘,4 ”-pyrazole]-3 ‘-carboxylate, C36H32ClN3O7

C36H32ClN3O7, orthorhombic, P2(1)2(1)2(1) (no. 19), a = 11.4608(5) angstrom, b = 12.1489(5) angstrom, c = 23.1684(7) angstrom, V = 3225.9(2) angstrom(3), z = 4, R-gt(F) = 0.0588, wR(ref) (F-2) = 0.1546, T = 293 K.

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Brief introduction of C6H8N2O2

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Electric Literature of 37622-90-5, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 37622-90-5, Name is Ethyl 4-pyrazolecarboxylate, SMILES is C1=N[NH]C=C1C(OCC)=O, belongs to pyrazoles-derivatives compound. In a article, author is Seidel, Pierre, introduce new discover of the category.

Syntheses of Acyclic and Macrocyclic Compounds Derived from 9,9-Diethylfluorene (Part I)

A series of new 9,9-diethylfluorenes consisting of three side-arms each bearing a heterocyclic, bis(carboxymethyl)amino, bis(carbamoylmethyl)amino, bis(ethoxycarbonylmethyl)amino or an amino group were prepared on the basis of 2,4,7-tris(bromomethyl)-9,9-diethylfluorene. Imidazolyl, benzimidazolyl, pyrazolyl, pyrrolyl, 1,3-dioxoisoindolyl and pyridinium groups were taken into account as heterocyclic units, attached to the aromatic skeleton via -CH2-, -CH2NHCH2- or -CH2N=CH- linkers. In addition to the seventeen 2,4,7-trisubstituted 9,9-diethylfluorenes, two macrocyclic compounds were prepared on the basis of 2,7-bis(aminomethyl)-9,9-diethylfluorene. The excellent yield of the macrocyclization reaction is worth a special mention. Both the acyclic and the macrocyclic fluorene-based compounds have, among other things, the potential to act as artificial receptors for different substrates in analogy to the known receptors consisting of a benzene or biphenyl core.

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Synthetic Route of 37622-90-5, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 37622-90-5, Name is Ethyl 4-pyrazolecarboxylate, SMILES is C1=N[NH]C=C1C(OCC)=O, belongs to pyrazoles-derivatives compound. In a article, author is Ghoshal, Tanay, introduce new discover of the category.

Anticancer activity of benzoxazole derivative (2015 onwards): a review

Background: According to the report published recently by the World Health Organization, the number of cancer cases in the world will increase to 22 million by 2030. So the anticancer drug research and development is taking place in the direction where the new entities are developed which are low in toxicity and are with improved activity. Benzoxazole and its derivative represent a very important class of heterocyclic compounds, which have a diverse therapeutic area. Recently, many active compounds synthesized are very effective; natural products isolated with benzoxazole moiety have also shown to be potent towards cancer. Main text: In the last few years, many research groups have designed and developed many novel compounds with benzoxazole as their backbone and checked their anticancer activity. In the review article, the recent developments (mostly after 2015) made in the direction of design and synthesis of new scaffolds with very potent anticancer activity are briefly described. The effect of various heterocycles attached to the benzoxazole and their effect on the anticancer activity are thoroughly studied and recorded in the review. Conclusion: These compiled data in the article will surely update the scientific community with the recent development in this area and will provide direction for further research in this area.

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Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 37622-90-5, Name is Ethyl 4-pyrazolecarboxylate, molecular formula is C6H8N2O2. In an article, author is Zhang, Shi-Hui,once mentioned of 37622-90-5, Formula: C6H8N2O2.

Rational synthesis of an ultra-stable Zn(II) coordination polymer based on a new tripodal pyrazole ligand for the highly sensitive and selective detection of Fe3+ and Cr2O72- in aqueous media

A mixed-ligand strategy has been used to construct stable luminescent coordination polymers (CPs). An ultra-stable Zn(ii) coordination polymer, [Zn(H(3)tpb)(Hbtc)](n)(1) was hydrothermally synthesized by employing a new tripodal pyrazole ligand H(3)tpb and a classical carboxylic ligand H(3)btc (H(3)tpb = 1,3,5-tris(pyrazolyl)benzene, H(3)btc = 1,3,5-benzenetricarboxylic acid). Complex 1 exhibits a 2D sql network. Importantly,1 not only possesses excellent thermal stability but also shows superior chemical stability in terms of water resistance, acid/base aqueous solutions tolerance (pH = 2-12), and organic solvents resistance. This excellent structural stability was further illustrated from the perspective of thermal decomposition kinetics. The luminescence properties were investigated, showing that complex 1 displays high sensitivity and selectivity for detecting Fe3+ and Cr2O72- ions in aqueous solutions via luminescence quenching effects.

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The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 37622-90-5, name is Ethyl 4-pyrazolecarboxylate, A new synthetic method of this compound is introduced below., Formula: C6H8N2O2

To a solution of ethyl 1H-pyrazole-4-carboxylate (31 g) and sodium acetate (120 g) in a mixed solvent of ethanol (200 mL) and water (300 mL) was added bromine (140 g), and the mixture was stirred at room temperature for 10 hr. To the reaction mixture was added sodium thiosulfate (180 g), and the mixture solvent was evaporated under reduced pressure. The reaction mixture was poured into water, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, and dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure to give the title compound (65 g). (1090) MS (ESI+): [M+H]+ 296.7

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.