Category: 401-78-5

Related Products of 401-78-5, 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. 401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Rafi, Ummer Muhammed, introduce new discover of the category.

Pyridazine-based heteroleptic copper(II) complexes as potent anticancer drugs by inducing apoptosis and S-phase arrest in breast cancer cell

A new series of heteroleptic copper(II) complexes of the type [Cu(L1-3)(diimine)](ClO4) (1-6) have been synthesized using three pyridazine-based ligands (3-chloro-6-(salicylidenehydrazinyl)pyridazine (HL1), 3-chloro-6-(4-diethylaminosalicylidenehydrazinyl) pyridazine (HL2) and 3-chloro-6-(5-bromosalicylidenehydrazinyl)pyridazine (HL3), and diimine (2,2′-bipyridine (bpy) or 1,10-phenanthroline (phen)) as co-ligands. The ligands and their copper(II) complexes have been characterized by elemental analyses and spectroscopic methods. The copper(II) complexes display ligand-field band in the region 641-661 nm suggesting square pyramidal geometry. The optimized structures of the complexes and their molecular orbital calculations obtained by the density functional theory (DFT) also showed five coordinated distorted square pyramidal geometry around the copper (II) ion. The cyclic voltammetric analyses of copper(II) complexes exhibit one-electron irreversible reduction wave (E-pc = -0.596 to -0.641 V) in the cathodic potential region. Anti-proliferative activity of the complexes against breast cancer MDA-MB-231 cell line was evaluated by MTT cell proliferation assay, and the clonogenic assay revealed improved cytotoxicity for the complexes with potency higher than the standard drug cisplatin. Since the complexes 3 and 4 with diethylamino substituent displayed higher anti-proliferative activity than the other complexes, these complexes were chosen for apoptosis and cell cycle analysis. The apoptosis induction was analyzed by AO/EB staining, and the flow cytometry showed the inhibition of cell growth at the S-phase of the cell cycle. Additionally, the interaction of copper(II) complexes with FGFR kinase receptor have been studied by in silico molecular docking studies.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Application In Synthesis of 3-Bromobenzotrifluoride401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Cheng, Chi Y., introduce new discover of the category.

Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery

Computational methods, including crystal structure and property prediction, have the potential to accelerate the materials discovery process by enabling structure prediction and screening of possible molecular building blocks prior to their synthesis. However, the discovery of new functional molecular materials is still limited by the need to identify promising molecules from a vast chemical space. We describe an evolutionary method which explores a user specified region of chemical space to identify promising molecules, which are subsequently evaluated using crystal structure prediction. We demonstrate the methods for the exploration of aza-substituted pentacenes with the aim of finding small molecule organic semiconductors with high charge carrier mobilities, where the space of possible substitution patterns is too large to exhaustively search using a high throughput approach. The method efficiently explores this large space, typically requiring calculations on only similar to 1% of molecules during a search. The results reveal two promising structural motifs: aza-substituted naphtho[1,2-a]anthracenes with reorganisation energies as low as pentacene and a series of pyridazine-based molecules having both low reorganisation energies and high electron affinities.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

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. 401-78-5, Name is 3-Bromobenzotrifluoride, formurla is C7H4BrF3. In a document, author is Szmytkowski, Czeslaw, introducing its new discovery. Application In Synthesis of 3-Bromobenzotrifluoride.

Cross sections for electron collision with pyridine [C5H5N] molecule

The absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3-20 eV range, where a broad enhancement peaked near 8.5 eV is clearly visible. Below 10 eV, some weak structures which can be attributed to resonant scattering processes are also discernible. The present TCS energy dependence is compared with TCS experimental data reported very recently. Comparison with TCS for benzene is also made to search how the replacement of the CH group in the benzene ring with the nitrogen atom influences the electron-scattering process. In addition, for pyridine and its halogenated derivatives: 2-chloropyridine [2-CHClN] and 2-bromopyridine [2-CHBrN], integral elastic (ECS) and ionisation (ICS) cross sections have been calculated at intermediate and high electron-impact energies within semiempirical approaches. For pyridine the sum of ECS and ICS is in reasonable agreement with the measured TCS above 40 eV. [GRAPHICS] .

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Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Computed Properties of C7H4BrF3, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 401-78-5, Name is 3-Bromobenzotrifluoride, molecular formula is C7H4BrF3. In an article, author is Yuan, Kun,once mentioned of 401-78-5.

Noncovalent interactions between O-6-corona[6]arene nanorings and fullerenes C-60 and C-70: atypical ring ball-shaped host-guest systems

The host-guest complexes formed with quasi-triangle-shaped O-6-corona[3]arene[3]tetrazine (T) or O-6-corona[3]arene[3]pyridazine (P) nanorings as hosts and sphere-like fullerene C-60 or C-70 as guests were investigated by density functional theory calculations with solvent effect (toluene, polarizable continuum model) being taken into account. Although the triangle-shaped host has no geometric advantage for the fullerene recognition, the stable P@C-60 (C-70) and T@C-70 have been experimentally detected. Therefore, on the point view of geometry features, O-6-corona[6]arenes@C-60 (C-70) can be regarded as a kind of atypical nano-sized host-guest systems. The geometry optimizations showed that fullerenes are not deeply encapsulated into the cavity of hosts O-6-corona[6]arenes but in a floating position on the cavities of hosts. The correlation between the binding energy (Delta E-cp) and cavity size of the host manifests that the steric effect between host and guest is the decisive factor to determine the thermodynamic stability. The thermodynamic information indicates that the host-guest binding processes are exothermic, enthalpy driven, and entropy opposed. Qualitative analysis based on the frontier orbital features shows that the recognition contributions brought by electron effect of charge transfer stabilization between the fullerene and the O-6-corona[6]arene nanorings can be basically excluded. Fluorescence emission spectroscopy of the free O-6-corona[6]arene molecules and their host-guest complexes formed with fullerenes (C-60 or C-70) were simulated by using time-dependent density functional theory. Additionally, the host-guest interaction regions were detected and visualized in real space based on the electron density and reduced density gradient. Furthermore, Hirshfeld surface analysis was used for the investigation on the O-6-corona[6]arenes@C-60 (C-70) host-guest interactions.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Name: 3-Bromobenzotrifluoride401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Hu, Zilun, introduce new discover of the category.

Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors

Pyridazine and pyridazinone derivatives were designed and synthesized as coagulation factor XIa inhibitors. Potent and selective inhibitors with single digit nanomolar affinity for factor XIa were discovered. Selected inhibitors demonstrated moderate oral bioavailability. (C) 2018 Elsevier Ltd. All rights reserved.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Electric Literature of 401-78-5, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Schulz, U., introduce new discover of the category.

Synthesis, chemical behavior, structure elucidation and iNOS inhibitory activity of 1-substituted3-methylsulfany1-5,6,7,8-tetrahydro-1H-[1,2,4]-triazolo[1,2-a]pyridazines

Novel slim and shapely spa-rich nitrogen containing heterocyclic ring systems are sought-after platforms for the expansion of molecular diversity in lead discovery.The present work describes the synthesis and characterization of a series of derivatives of hitherto unknown 3-methylsulfany1-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazines 2. This approach was guided by a computational study, aiming at an optimization of previously reported [1,2,4]triazolo[1,2-a]pyridazine-1-thiones 1 known to inhibit the inducible nitric oxide synthase (iNOS). The title compounds are accessible by methylation of compounds 1 under mild conditions. The products were biologically evaluated by the same cell-based assay as applied for previous products of type 1 using RINm5F cells, which were stimulated to produce NO on the influence of proinflammatory cytokines IL-1 beta and IFN-y. Compounds 2 did not display the anticipated improved iNOS inhibitory activity in the selected assay but contribute to SAR in the field. In addition, an unprecedented formation of side-products 3 via oxidation has been investigated. The novel scaffolds represent attractive starting points for the construction of diverse molecules which differ considerably from known compounds based on flat and lipophilic aromatic scaffolds.

Electric Literature of 401-78-5, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 401-78-5.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Synthetic Route of 401-78-5, Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Balkenhohl, Moritz, introduce new discover of the category.

Lewis Acid Directed Regioselective Metalations of Pyridazine

Mono- or bidentate boron Lewis acids trigger a regioselective magnesiation or zincation of pyridazine in position C3 (ortho product) or C4 meta product). The regioselectivity of the metalation was rationalized with the help of calculated pK(a) values of both pyridazine and pyridazine/Lewis acid complexes.

Synthetic Route of 401-78-5, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 401-78-5 is helpful to your research.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Computed Properties of C7H4BrF3401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, belongs to pyridazines compound. In a article, author is Chmovzh, Timofey N., introduce new discover of the category.

Synthesis of the 4,7-Dibromo Derivative of Highly Electron-Deficient [1,2,5]Thiadiazolo[3,4-d]pyridazine and Its Cross-Coupling Reactions

An efficient synthesis of 4,7-dibromo[1,2,5]thiadiazolo[3,4-d]pyridazine is reported. For the first time, palladium-catalysed cross-coupling reactions of a dihalo derivative was found to be a powerful tool for the selective formation of various mono- and diarylated derivatives of strongly electron-accepting heterocycles. Suzuki-Miyaura coupling can be successfully employed for the preparation of mono-arylated derivatives, whereas Stille coupling is useful for both mono- and diaryl(hetaryl)ated heterocycles. The cyclic voltammogram showed that 4,7-dibromo[1,2,5]thiadiazolo[3,4-d]pyridazine can be easily oxidized to form a stable anion radical. The calculated values of E-LUMO confirmed that [1,2,5]thiadiazolo[3,4-d]pyridazine is one of the strongest electron-acceptor systems.

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 401-78-5. Computed Properties of C7H4BrF3.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 401-78-5, Name is 3-Bromobenzotrifluoride, SMILES is FC(F)(F)C1=CC=CC(Br)=C1, in an article , author is Dong, Jun-Liang, once mentioned of 401-78-5, Product Details of 401-78-5.

Syntheses, structures, and magnetic properties of mixed-ligand complexes based on 3,6-bis(benzimidazol-1-yl)pyridazine

Six new metal-organic coordination polymers (CPs) [Ni(L)(2,5-TDC)(H2O)](n)(1), [Ni(L)(1,3-BDC)(H2O)](n) (2), [Ni(L)(1,4-BDC)(H2O)](n) (3), [Mn(L)(2,5-TDC)(H2O)](n) (4), [Mn(L)(2,6-PYDC)(H2O)](n) (5) and [Mn(L)(1,4-NDC)](n) (6) were achieved by reactions of the corresponding metal salt with mixed organic ligands (L = 3,6-bis(benzimidazol-1-yl)pyridazine, 2,5-H2TDC = thiophene-2,5-dicarboxylic acid, 1,3-H2BDC = isophthalic acid, 1,4-H2BDC = terephthalic acid, 2,6-H2PYDC = pyridine-2,6-dicarboxylic acid, 1,4-H2NDC = naphthalene-1,4-dicarboxylic acid) under solvothermal condition. CPs 1-6 were characterized by single-crystal X-ray diffraction, IR, TG, XRD and elemental analyses. Their structures range from the intricate 3D CPs 1, 3, 4 and 6 to the 2D coordination polymer 2 and the infinite 1D chain 5. The CPs 1-4 and 6 underlying networks were classified from the topological viewpoint, disclosing the distinct sql (in 1), pcu (in 3 and 6), new topology (in 2), and dia (in 4) topological nets. Moreover, analysis of thermal stability shows that they had good thermal stability. Finally, magnetic properties of CPs 1-6 have been studied, the results showed that complex 2 had ferromagnetic coupling and complexes 1, 3-6 were antiferromagnetic.

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Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Fadda, Ahmed A., once mentioned the application of 401-78-5, Name is 3-Bromobenzotrifluoride, molecular formula is C7H4BrF3, molecular weight is 225.0059, MDL number is MFCD00000380, category is pyridazines. Now introduce a scientific discovery about this category, COA of Formula: C7H4BrF3.

Derivational, Structural, and Biological Studies of Some New Pyrazolyl, Isoxazolyl, Pyrimidinyl, Pyridazinyl, and Pyridopyridazinyl from 4-Substituted Antipyrine

(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbono-hydrazonoyl dicyanide was used as a key intermediate for the synthesis of novel pyrazole, isoxazole, pyrimidine, and pyridazine derivatives. The newly synthesized compounds were characterized by elemental analyses and spectral data (IR, H-1-NMR, C-13-NMR, and mass spectra). The compounds were tested for their in vitroantibacterial activity against Gram-positive bacteria as (Staphylococcus aureus and Bacillus subtilis) and Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli). The investigated compounds were tested against two strains of fungi Botrytis fabae and Fusarium oxysporum using diffusion agar technique. The biological results showed clearly that most of the synthesized compounds revealed mild to moderate activity against the used microorganisms.

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Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem