Tag: M.W:100-200

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 176969-34-9, Name is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, molecular formula is C6H6F2N2O2. In an article, author is Dengale, Sujata G.,once mentioned of 176969-34-9, Quality Control of 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid.

Synthesis of 3-(trifluoromethyl)-1-(perfluorophenyl)-1H-pyrazol-5(4H)-one derivatives via Knoevenagel condensation and their biological evaluation

In search of new active molecules, a small focused library of the synthesis of 3-(trifluoromethyl)-1-(perfluorophenyl)-1H-pyrazol-5(4H)-one derivatives (4a-d, 5a-f, and 6a-e) has been efficiently prepared via the Knoevenagel condensation approach. All the derivatives were synthesized by conventional and nonconventional methods like ultrasonication and microwave irradiation, respectively. Several derivatives exhibited excellent anti-inflammatory activity compared to the standard drug. Furthermore, the synthesized compounds were found to have potential antioxidant activity. In addition, to rationalize the observed biological activity data, an in silico absorption, distribution, metabolism, and excretion (ADME) prediction study also been carried out. The results of the in vitro and in silico studies suggest that the 3-(trifluoromethyl)-1-(perfluorophenyl)-1H-pyrazol-5(4H)-one derivatives (4a-d, 5a-f, and 6a-e) may possess the ideal structural requirements for the further development of novel therapeutic agents.

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

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. 1985-46-2, Name is N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, formurla is C5H10N6. In a document, author is Kumar, K. Subin, introducing its new discovery. Category: pyrazoles-derivatives.

SYNTHESIS, CRYSTAL STRUCTURE, AND IN VITRO CYTOTOXIC, ANTITUMOR AND ANTIMICROBIAL EVALUATION OF A NEW PYRAZOLE DERIVATIVE N-3,5-TRIMETHYL-NPHENYL-1-H-PYRAZOLE-1-CARBOTHIOAMIDE

Anew pyrazole molecule of N-3,5-trimethyl-N-phenyl-1-H-pyrazole-1-carbothioamide (MePhPyC) has been synthesized and characterized by elemental analysis, single crystal x-ray diffraction (XRD), and mass, H-1 NMR, ultraviolet-visible (UV-Vis), and IR spectroscopic techniques. The XRD data show that MePhPyC molecule crystallizes in the monoclinic system, P2(1)/C space group, a = 13.0473(7) angstrom, b = 12.6191(6) angstrom, c = 8.1871(4) angstrom, = 90 degrees, beta = 106.288(2)degrees, v = 90(0) and V =1293.86(11) angstrom(3). The antibacterial activity of MePhPyC against test bacteria and antifungal activity against test fungi were investigated. The compound was found to possess a broad spectrum of biological activities. The synthesized molecule of MePhPyC showed highest cytotoxicity with IC50 = 49 mu g/mL. In the present study, MePhPyC was found to be efficient against EAC-induced ascites tumor. Adose of 5 mg/kg body weight (bwt) was more effective than the other two concentrations (15 and 10 mg/kg bwt). In both cases of in vitro cytotoxicity and in vivo ascites tumor treatment, MePhPyC suggests its potential use as an anticancer agent.

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

Electric Literature of 2075-46-9, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 2075-46-9, Name is 4-Nitro-1H-pyrazole, SMILES is C1=N[NH]C=C1[N+]([O-])=O, belongs to pyrazoles-derivatives compound. In a article, author is Flores, Erick, introduce new discover of the category.

Design, Synthesis and Biological Evaluation of Ferrocenyl Thiazole and Thiazolo[5,4-d]thiazole Catechols as Inhibitors of 5-hLOX and as Antibacterials against Staphylococcus aureus. Structural Relationship and Computational Studies

In the search for new human 5-lipoxygenase (5-hLOX) inhibitors that could be used for the treatment of a variety of inflammation-related diseases, three new ferrocenyl complexes derived from 2,4-thiazole and thiazolo[5,4-d]thiazole ((eta(5)-C5H4-2,4-thiazol-3,4-dihydroxyphenyl)Fe(eta(5)-C5H5) (3), (eta(5)-C5H4-2,4-thiazol-phenyl)Fe(eta(5)-C5H5) (4), and (eta(5)-C5H4-thiazolo[5,4-d]thiazole-3,4-dihydroxybenzene)Fe(eta(5)-C5H5) (5)) were synthesized and evaluated. A cooperative effect among the ferrocenyl, thiazole, and catechol fragments was evidenced and corroborated on evaluating the activity of the ferrocenyl (1) and catechol (2) precursors and additionally the organic derivative 6, similar to the NDGA structure. The thiazole derivative 3 was the best 5-hLOX inhibitor (85.8% inhibition, IC50 = 0.9 +/- 0.7 mu M for 5-hLOX and 22 +/- 1.1 mu M in human cells), followed by complex 4 (74.6% inhibition, IC50 = 5.4 +/- 1.7 mu M), which presents low cytotoxicity (>250 mu M), associated with the absence of OH groups (decrease in reactive oxygen species generation). Molecular dynamic and docking studies of 3 and 4 showed that the ferrocenyl fragment is oriented to the active iron(III) site present in 5-hLOX; kinetics and FRAP assays together with electrochemical analysis suggest a redox mechanism mediated by water (Fe(III) from enzyme/Fe(II) from complex) accompanied by the blocking of the substrate approach, being consistent with competitive inhibition. The ferrocenyl, together with the thiazole and catechol fragments, drastically improves the antibacterial activity (percentage of bacterial growth inhibition of 85.5% and a MIC value of 25 mu g/mL for 3), and an ROS assay suggests another mechanism for the antibacterial activity for Staphylococcus aureus.

Electric Literature of 2075-46-9, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 2075-46-9.

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

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 5932-27-4, Name is Ethyl 1H-pyrazole-3-carboxylate, molecular formula is C6H8N2O2. In an article, author is Amin, Sk. Abdul,once mentioned of 5932-27-4, COA of Formula: C6H8N2O2.

Exploring indole derivatives as myeloid cell leukaemia-1 (Mcl-1) inhibitors with multi-QSAR approach: a novel hope in anti-cancer drug discovery

In humans, the over-expression of Mcl-1 protein causes different cancers and it is also responsible for cancer resistance to different cytotoxic agents. Thus, discovery of potential inhibitors of Mcl-1 is very important and both the pharmaceutical industry and academia are looking at it in the quest for new anticancer drugs. In the present study, different molecular modelling techniques such as recursive partitioning, Bayesian classification, structural and physico-chemical interpretation analysis and pharmacophore mapping were employed in order to identify the crucial structural fingerprints important for the optimization of 143 indole derivatives as Mcl-1 inhibitors. These modelling studies emphasize that hydrophobic naphthyl rings, methyl-substituted 1H-pyrazole moiety, N(1)-tethered morpholinoethyl group, chloro substitutions at the 6th position of indole nucleusetc.are beneficial for Mcl-1 binding. Finally, statistically validated classical QSAR and machine learning-based models were also developed for screening and prediction of different indole derivatives as Mcl-1 inhibitors. The modelling analyses will help medicinal chemists to design potent Mcl-1 inhibitors in future. Thus, the present study was an attempt to speed up the anticancer drug discovery of indole-based Mcl-1 inhibitors.

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

Chemistry, like all the natural sciences, Recommanded Product: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, begins with the direct observation of nature¡ª in this case, of matter.176969-34-9, Name is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, SMILES is O=C(C1=CN(C)N=C1C(F)F)O, belongs to pyrazoles-derivatives compound. In a document, author is Chaudhary, R. P., introduce the new discover.

Ultrasound assisted regioselective synthesis, photophysical and structural studies of 1-substituted indazol-4(5H)-ones and enaminodiketones of dimedone

Enaminodiketone, obtained from reaction of dimedone with DMF-DMA, on reaction with nucleophiles such as amines, guanidine hydrochloride and substituted aromatic hydrazines furnished enaminodiketones, quinazolines and indazole derivatives respectively. The structure of synthesised compounds was assigned on the basis of spectral data (IR, NMR and Mass). X-ray crystallographic studies of representative compound 6b have been reported. DFT studies were carried out on indazole derivative and its regioisomer for validation of the assigned structure. Also experimental NMR is correlated with that obtained from theoretical studies. Photo physical (UV and fluorescence) studies of compounds 4 and 6 have also been reported. (C) 2020 Elsevier B.V. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 176969-34-9. Recommanded Product: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid.

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

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 1985-46-2, Name is N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, molecular formula is , belongs to pyrazoles-derivatives compound. In a document, author is Singh, Narendra Kumar, Safety of N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine.

Anticancer potency of copper(II) complexes of thiosemicarbazones

Being a structural and catalytic cofactor in a number of biological pathways, copper accumulates in tumors owing to selective permeability of the cancer cell membranes. Copper(II) ion forms the active centers in a large number of metalloproteins. The coordination of Schiff’s base ligands to the metal ion results in the high extent of increase in anticancer activity. The copper(II) complexes can cleave DNA through oxidative and hydrolytic pathways, cell apoptosis via intrinsic reactive oxygen species (ROS) mediated mitochondrial pathway due to excessive production of ROS and hence, are found more active than Ni and Pt complexes. Flexible Cu(I/II) redox behavior helps the copper complexes to form more potent, clinically effective and less toxic copper based antiproliferative drugs of lower IC50 value and higher growth inhibitory activity. Copper(II) complexes of thiosemicarbazones of Isatin, Pyridine, Benzoyl pyridine, Diacetyl/Dimethyl glyoxal, Acetophenone/Acetoacetanalide, Thiazole/Pyrazole, Quinoline, Carboxybenzaldehyde, Cinnamaldehyde/Cuminaldehyde, Citronellal, Chromone, Pyridoxal, 8-Ethyl-2-hydroxytricyclo (7.3.1.0(2,7)) tridecan-13-one, Acyl Diazines, Naphthalene, Proline, 5-Formyluracil, 2-Hydroxy-8-propyltricyclo (7.3.1.0(2,7)) tridecan-13-one, 9-cis-Retinal, Curcumin, Helicin (Salicylaldehyde-beta-D-glucoside), Thiophene carboxaldehyde, Salicylaldehyde, Iminodiacetate, and 3-Formyl-4-hydroxy benzenesulfonic acid have been found to exhibit more anticancer activity toward HCT116, MCF7, A549, U937, HeLa, HepG2, SGC-7901, A2780 cell lines than that of their corresponding thiosemicarbazones and standard topoisomerase-II inhibitors.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 1985-46-2, in my other articles. Safety of N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine.

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

Electric Literature of 1985-46-2, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 1985-46-2, Name is N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, SMILES is NC1=NC(N)=NC(N(C)C)=N1, belongs to pyrazoles-derivatives compound. In a article, author is Kerzare, Deweshri R., introduce new discover of the category.

Development of novel indole-linked pyrazoles as anticonvulsant agents: A molecular hybridization approach

A series of 3-{2-[1-acetyl-5-(substitutedphenyl)-4,5-dihydropyrazol-3-yl]hydrazinylidene}-1,3-dihydro-2H-indol-2-ones24-43was synthesized using an appropriate synthetic route and evaluated experimentally by the maximal electroshock test. These compounds were evaluated for antidepressant and antianxiety activities. The most active compound, 3-{2-[1-acetyl-5-(4-chlorophenyl)-4,5-dihydropyrazol-3-yl]hydrazinylidene}-1,3-dihydro-2H-indol-2-one25, exhibited an ED(50)of 13.19 mmol/kg, a TD(50)of 43.49 mmol/kg, and a high protective index of 3.29, compared with the standard drug diazepam. To get insights into the intermolecular interactions, molecular docking studies were performed at the active site of the GABA(A)receptor and the MAO-A enzyme. Molecular docking studies are also in agreement with the pharmacological evaluation with potent compounds, exhibiting docking scores of -1.5180 and 0.7458 for the GABA(A)receptor and MAO-A, respectively. The 3D-QSAR analysis was carried out by Vlife MDS engine 4.3.1, and a statistically reliable model with good predictive power (r(2) = 0.7523,q(2) = 0.3773) was achieved. The 3D-QSAR plots gave insights into the structure-activity relationship of these compounds, which may aid in the design of potent benzopyrrole derivatives as anticonvulsant agents. So, our research can make a great impact on those medicinal chemists who work on the development of anticonvulsant agents.

Electric Literature of 1985-46-2, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 1985-46-2.

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

Synthetic Route of 176969-34-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 176969-34-9, Name is 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid, SMILES is O=C(C1=CN(C)N=C1C(F)F)O, belongs to pyrazoles-derivatives compound. In a article, author is Mehravar, Maryam, introduce new discover of the category.

Preparation and Application of Nano-AlPO4/Ti (IV) as a New and Recyclable Catalyst for the Four-Component Synthesis of Dihydropyrano[2,3-c]Pyrazoles

In this work, nano-AlPO4/Ti(IV) (NAPT) as a new nanocomposite was prepared and then characterized by FT-IR, XRD, FESEM, TEM, BET and TGA. This nano-catalyst was used for synthesis of dihydropyrano[2,3-c]pyrazole (DHPP) derivatives by one-pot four component reaction of aldehyde, ethyl acetoacetate, malononitrile and hydrazine hydrate. An uncomplicated work-up, high yields of product, short reaction times and use of low-cost catalyst are considerable properties of present procedure.

Synthetic Route of 176969-34-9, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 176969-34-9 is helpful to your research.

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

In an article, author is Milani, Jorge L. S., once mentioned the application of 2075-46-9, Recommanded Product: 2075-46-9, Name is 4-Nitro-1H-pyrazole, molecular formula is C3H3N3O2, molecular weight is 113.08, MDL number is MFCD00159626, category is pyrazoles-derivatives. Now introduce a scientific discovery about this category.

Chromium Complexes Supported by Phenyl Ether-Pyrazolyl [N,O] Ligands as Catalysts for the Oligo- and Polymerization of Ethylene

A new series of Cr (III) complexes [Cr{1-(3-phenoxypropyl)-1H-pyrazole}Cl-3](2)(Cr1),[Cr{1-(3-phenoxypropyl)-3,5-dimethyl-1H-pyrazole}Cl-3](2)(Cr2), and [Cr{1-(3-phenoxypropyl)-3-phenyl-1H-pyrazole}Cl-3](2)(Cr3)have been synthesized and characterized by elemental analysis, high-resolution mass spectrometry (HRMS) and IR spectroscopy. Upon activation with methylaluminoxane (MAO), chromium precatalystsCr2andCr3showed moderate activity in ethylene oligomerization [TOF = 17,900-29,200 mol (ethylene).mol (Cr)(-1).h(-1)at 80 degrees C] with Schultz-Flory distribution of oligomers (K= 0.54-0.66) and production of polymer varying from 2.8 to 6.7 wt.%. On the other hand, under identical oligomerization conditions,Cr1/MAO behaved as a polymerization catalyst generating predominantly polyethylene (63.7 wt%). The amount of 1-butene is the largest component in the liquid fraction suggesting that these precatalysts operate via a Cossee-Arlman mechanism. The catalytic activities, selectivity and product distribution are quite sensitive to the R-group at the 3- and 5-position of the pyrazolyl ring. Based on the electronic and steric effects of R- substituents, it is possible to stablish a trend of activity:Cr2(Pz(Me2)) >Cr3(Pz(Ph)) >Cr1(Pz). Moreover, the effect of oligomerization parameters (cocatalyst, temperature, [Al]/[Cr] molar ratio, time) on the activity and on the product distribution were examined.

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

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. 1985-46-2, Name is N2,N2-Dimethyl-1,3,5-triazine-2,4,6-triamine, formurla is C5H10N6. In a document, author is Dias, Bianca Boni, introducing its new discovery. COA of Formula: C5H10N6.

Synthesis, structural characterization, and prospects for new cobalt (II) complexes with thiocarbamoyl-pyrazoline ligands as promising antifungal agents

Candida spp. cause invasive fungal infections. One species, Candida glabrata, may present intrinsic resistance to conventional antifungal agents, thereby increasing mortality rates in hospitalized patients. In this context, metal complexes present an alternative for the development of new antifungal drugs owing to their biological and pharmacological activities demonstrated in studies in the last decades. Accordingly, in this study we have synthesized and characterized two new Co(II) complexes with thiocarbamoyl-pyrazoline ligands to assess their antimicrobial, mutagenic, and cytotoxic potential. For antimicrobial activity, the broth microdilution method was performed against ATCC strains of Candida spp. and fluconazole dose-dependent isolates of C. glabrata obtained from urine samples. The Ames test was used to assess mutagenic potential. The reduction method of the MTS reagent (3 [4,5-dimethylthiazol-2-yl]-5-[3-carboxymethoxyphenyl]-2-[4-sulfophenyl]-2H-tetrazolium) was performed with HeLa, SiHa, and Vero cells to determine cytotoxicity. Both complexes exhibited fungistatic and fungicidal activity for the yeasts used in the study, demonstrating greater potential for C. glabrata ATCC 2001 and the C. glabrata CG66 isolate with a Minimum Inhibitory Concentration MIC from 3.90 to 7.81 mu g mL(-1) and fungicidal action from 7.81 to 15.62 mu g mL(-1). The complexes inhibited and degraded biofilms by up to 90% and did not present mutagenic and cytotoxic potential at the concentrations evaluated for MIC. Thus, the complexes examined herein suggest promising alternatives for the development of new antifungal drugs.

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