Category: pyridazines

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 73963-42-5, Name is 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole, SMILES is ClCCCCC1=NN=NN1C2CCCCC2, in an article , author is Marino, Nadia, once mentioned of 73963-42-5, Application In Synthesis of 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole.

Magneto-structural correlations in Ni(ii) [2 x 2] metallogrids featuring a variable number of -aquo or -hydroxo extra bridges

Four new [2 x 2] grid-type metallosupramolecular species have been obtained by using the ditopic 3,6-bis(2-pyridyl)pyridazine ligand (dppn) and nickel(ii) salts containing poorly coordinating anions. Three of them have the formula [Ni-4(-dppn)(4)(-OH)(2)(-H2O)(2)]X-6 center dot nH(2)O [with X = ClO4- (1), NO3- (2) and CF3SO3- (3), and n = 6.5 (1), 14 (2) and 4 (3)]. Their crystal structure shows the same tetranuclear core, constituted by four six-coordinate metal ions and four dppn molecules. Two hydroxo groups and two water molecules efficiently interact forming two hydrated hydroxide (H3O2-) supramolecular bridging anions, further stabilizing the grid. The other compound, [Ni-4(-dppn)(4)(-OH)(3)(-H2O)](ClO4)(5)5H(2)O2EtOH (4), also exhibits the same tetranuclear core but with three hydroxo groups and one water molecule as supporting bridges, thus featuring only one hydrated hydroxide ion. Cryomagnetic measurements on polycrystalline samples of 1-4 in the temperature range 1.9-300 K reveal an overall antiferromagnetic behaviour. The values of the intramolecular magnetic coupling (J) cover the range -50.4(3) to -63.6(4) cm(-1), the Hamiltonian being defined as H = -J(S1S2 + S2S3 + S3S4 + S1S4) + gH(S-1 + S-2 + S-3 + S-4). The magneto-structural data of 1-4 show that the larger the average value at the hydroxo/aquo bridges is, the greater the antiferromagnetic coupling.

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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, Recommanded Product: 2231-57-42231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a article, author is El-Deeb, M. M., introduce new discover of the category.

Electrochemical, DFT and Mont Carlo Simulations Studies to Evaluate the Inhibition Effect of Novel Pyridazine Derivatives on Iron Pitting Corrosion in 3.5 % NaCl

6-Phenyl-pyridazin-3-ylsulfanyl)-acetic acid ethyl ester (PPS-A) and 4-(6-Phenyl-pyridazin-3-ylsulfanyl)-butyric acid ethyl ester (PPS-B) are synthesized and characterized as novel S-alkylated pyridazine derivatives with different side chain lengths. The effect of S-alkylated side chain lengths in PPS-A and PPS-B is investigated for their protective mechanism towards iron pitting corrosion in 3.5 % NaCl and compared to their parent pyridazine (PPS) using electrochemical measurements and theoretical calculations. It is found that, the studied pyridazine derivatives shift both the corrosion potential and the pitting potential of iron to more noble values. Furthermore, the mechanism of the inhibition is correlated to the presence of the S-alkylated side chain in PPS-A and PPS-B compared to PPS, as well as to its different lengths between PPS-A and PPS-B. Moreover, the structure of Fe/electrolyte interface in case of PPS-B behaves as more ideal capacitive rather than that in case of PPS-A, due to the adsorption of insulating barrier layers on Fe/electrolyte interface. The best fit adsorption isotherm is found to be Langmuir adsorption isotherm with physical nature. DFT calculations show that, the charge density around the adsorption active sites increase as the S-alkylated side chain became more length. The adsorption behaviour of the studied pyridazine derivatives is simulated using Mont Carlo molecular dynamics that agree well with the experimental data.

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 2231-57-4. Recommanded Product: 2231-57-4.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

In an article, author is Mohamed, Mervat S., once mentioned the application of 103-85-5, Computed Properties of C7H8N2S, Name is 1-Phenylthiourea, molecular formula is C7H8N2S, molecular weight is 152.2168, MDL number is MFCD00004933, category is pyridazines. Now introduce a scientific discovery about this category.

Induction of apoptosis by pyrazolo[3,4-d]pyridazine derivative in lung cancer cells via disruption of Bcl-2/Bax expression balance

In the rapidly expanding era of cancer target therapy, regulators of apoptosis are emerging as attractive therapeutic targets. X-linked inhibitor of apoptosis (XIAP) is of specific interest owing to its characteristic overexpression in a wide variety of neoplasms, with a resultant survival advantage for tumor cells and treatment resistance. In this study, we examined three pyrazolo [3,4-d] pyridazine derivatives (PPDs) through molecular modeling and studied their modes of interaction with XIAP-BIR3 domain. PPD-1, which possessed the highest binding affinity with XIAP, was tested on A549 (lung cancer cell line); HCT-116 (colorectal carcinoma cell line); HEPG2 (liver carcinoma cell line), HFB4 (normal human skin melanocyte cell line) and WI-38 (human embryonic lung fibroblasts). In comparison to cisplatin as a positive control, PPD-1 yielded remarkable cytotoxicity on all cancer cell lines, with the highest anti-tumor activity on A549 and a favorable therapeutic ratio. Flow cytometry studies concluded that PPD-1 treatment induces Sub G1 and G2/M cell cycle arrest and apoptosis. The percentage of apoptotic cells in PPD-1 treated A549 cells was considerably higher than that in untreated cells (10.06% vs 0.57%, respectively). To further investigate the mechanism of induction of apoptosis by PPD-1, Real time-PCR was used to quantify the expression levels of key apoptotic regulators. Significant overexpression of the effector capsase-3, pro-apoptotic bax and tumor suppressor gene p53 were noted as compared to untreated cells (7.19 folds, 7.28 folds, and 5.08 folds, respectively). Moreover, PPD-1 inhibited the expression of the antiapoptotic bcl-2 gene to 0.22 folds. These findings demonstrate that PPD-1 treatment disrupts the Bcl-2/BAX balance in lung cancer cell lines, leading to apoptosis induction possibly through intrinsic mitochondria- dependent pathway. These novel insights elucidate the mechanism of PPD-1 cytotoxicity in lung cancer cell lines and offer a promising therapeutic approach that needs further study. (C) 2017 Elsevier Ltd. All rights reserved.

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

 

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 88-17-5, Name is 2-(Trifluoromethyl)aniline, SMILES is NC1=CC=CC=C1C(F)(F)F, belongs to pyridazines compound. In a document, author is Rodriguez-Jimenez, Santiago, introduce the new discover, Computed Properties of C7H6F3N.

Predictable Electronic Tuning By Choice of Azine Substituent in Five Iron(II) Triazoles: Redox Properties and DFT Calculations

Five new mononuclear iron(II) tris-ligand complexes, and four solvatomorphs, have been made from the azine-substituted 1,2,4-triazole ligands (L-azine): [Fe-II(L-pyridazine)(3)](BF4)(2) (1), [Fe-II(L-pyrazine)(3)](BF4)(2) (2), [Fe-II(L-pyridine)(3)](BF4)(2) (3), [Fe-II(L-2pyrimidine)(3)](BF4)(2) (4), and [Fe-II(L-4pyrimidine)(3)](BF4)(2) (5). Single-crystal XRD and solid-state magnetometry reveal that all of them are low-spin (LS) iron(II), except for solvatomorph 54H(2)O. Evans method NMR studies in CD2Cl2, (CD3)(2)CO and CD3CN show that all are LS in these solvents, except 5 in CD2Cl2 (consistent with L-4pyrimidine imposing the weakest field). Cyclic voltammetry in CH3CN vs. Ag/0.01m AgNO3 reveals an, at best quasi-reversible, Fe-III/II redox process, with E-pa increasing from 0.69 to 0.99V as the azine changes: pyridine< pyridazine<2-pyrimidine<4-pyrimidine< pyrazine. The observed E-pa values correlate linearly with the DFT calculated HOMO energies for the LS complexes. The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 88-17-5 is helpful to your research. Computed Properties of C7H6F3N.

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

 

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. 88-17-5, Name is 2-(Trifluoromethyl)aniline, molecular formula is , belongs to pyridazines compound. In a document, author is Borger, Maribel, Safety of 2-(Trifluoromethyl)aniline.

Pyridazine N-Oxides as Precursors to 2-Aminofurans: Scope and Limitations in Complexity Building Cascade Reactions

A method to transform pyridazine N-oxides into 2-aminofurans using a combination of UV light and transition metal catalysis has been developed. These electron-rich species exhibit a surprising range of useful reactivity, including the ability to participate in complexity building cascade processes when reacted with dienophiles. This study also establishes 2-aminofurans as valuable synthons that support modular synthetic entry to the shared heterocyclic core of certain aspidosperma and amaryllidaceae alkaloids.

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 88-17-5, in my other articles. Safety of 2-(Trifluoromethyl)aniline.

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

 

Related Products of 4949-44-4, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 4949-44-4, Name is Ethyl 3-oxopentanoate, SMILES is CCC(CC(OCC)=O)=O, belongs to pyridazines compound. In a article, author is Liu, Shaojie, introduce new discover of the category.

Structure-Property Study on Two New D-A Type Materials Comprising Pyridazine Moiety and the OLED Application as Host

In this paper, two new pyridazine based donor-acceptor type materials, i.e., 3CzPyaPy: 9,9′-(3-(6-(9H-carbazol-9-yOpyridazin-3-yl)pyridine-2,6-diyl)bis(9H-carbazole) and 4CzPyPyaPy: 3,6-bis(2,6-di(9H-carbazol-9-yl)pyridin-3-yl)-pyridazine, were synthesized with high yields. These two materials exhibited strong absorption/emission with high molar extinction coefficients and moderate photoluminescence quantum yield. The glass transition temperature of 3CzPyaPy was detected to be as high as 131 degrees C, showing its high thermal stability. Although the absorption energies and oxidation/reduction behaviors of the two materials were similar, the emission from 4CzPyPyaPy with longer effective-conjugation length presented hypsochromic shift both in films and in dilute solutions, contradicting to the common sense. The single crystal structure study disclosed their different space stretching and packing: 3CzPyaPy was twisted in larger angles and adopted dimerlike packing, while 4CzPyPyaPy showed smaller torsion angles and exhibited slipped herringbone packing. The dimerlike packing in 3CzPyaPy is responsible for its bathochromic shift of emission in solid state, while its unsymmetrical molecular structure accounts for that in solution. We believe that the unsymmetrical molecular structure of 3CzPyaPy is partially responsible for its high thermal-stability and also responsible for its HOMO dispersion which renders it slightly more difficult to oxidize. 3CzPyaPy was proved to be a bipolar-transport material and when served as a phosphor host, a green phosphorescent device achieved maximum efficiencies of 54.0 cd A(-1), 42.4 lm W-1 and 17.7%, which are among the best with nonoptimized device structure, demonstrating its great potential for optoelectronic application. Furthermore, the new synthesized pyridazine derivatives and the corresponding structural and molecular-packing influences on material properties give a new insight into molecule tailoring.

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

 

Electric Literature of 39825-33-7, 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. 39825-33-7, Name is H-Ala-OiPr, SMILES is C[C@H](N)C(OC(C)C)=O, belongs to pyridazines compound. In a article, author is Kim, Chaewon, introduce new discover of the category.

Synthesis and Evaluation of Novel 3-Allylseleno-6-Alkylsulfonylpyridazine Derivatives with Potential Anticancer Properties

A new series of 3-allylseleno-6-alkylsulfonylpyridazines and 3-allylseleno-6-alkylsulfinylpyridazines were synthesized from 3,6-dichloropyridazine for anticancer agent development. The inhibitory effects of 3-allylseleno-6-alkylsulfonylpyridazines on human cancer cell lines were investigated. The synthesis involved thiolation, oxidation, selenylation, and Se-allylation of alkylthiols. That is, sodium methanethiolate, ethanethiol, propanethiol, butanethiol, pentanethiol, and hexanethiol were inserted into the 6-position of the pyridazine nucleus. These new synthetic compounds exhibited antiproliferative activity against human breast cancer (MCF-7), hepatocarcinoma (Hep3B), and human colon carcinoma (RKO) cells in CCK-8 assays, and are potential candidates for cancer chemotherapy.

Electric Literature of 39825-33-7, 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 39825-33-7 is helpful to your research.

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

 

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 73963-42-5, Name is 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole, molecular formula is C11H19ClN4, belongs to pyridazines compound, is a common compound. In a patnet, author is Ewida, Menna A., once mentioned the new application about 73963-42-5, Application In Synthesis of 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole.

Thiazolo[4,5-d]pyridazine analogues as a new class of dihydrofolate reductase (DHFR) inhibitors: Synthesis, biological evaluation and molecular modeling study

A new series of 1,3-thiazoles and thiazolo[4,5-d] pyridazine both bearing the 2-thioureido function were designed, synthesized and evaluated for their in vitro DHFR inhibition and antitumor activities. Compound 26 proved to be the most active DHFR inhibitor (IC50 of 0.06 mu M). Compound 4, 20 and 21 showed in vitro antitumor activity against a collection of cancer cell lines. Compound 26 proved lethal to HS 578T breast cancer cell line with IC50 value of 0.8 mu M, inducing cell cycle arrest and apoptosis. Molecular modeling studies concluded that recognition with key amino acids Phe 31 and Arg 22 is essential for DHFR binding. The obtained model could be useful for the development of new class of DHFR inhibitors. (C) 2017 Elsevier Inc. All rights reserved.

We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 73963-42-5. The above is the message from the blog manager. Application In Synthesis of 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole.

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

 

Application of 4949-44-4, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 4949-44-4, Name is Ethyl 3-oxopentanoate, SMILES is CCC(CC(OCC)=O)=O, belongs to pyridazines compound. In a article, author is Tarr, James C., introduce new discover of the category.

Challenges in the development of an M-4 PAM preclinical candidate: The discovery, SAR, and biological characterization of a series of azetidine-derived tertiary amides

Herein we describe the continued optimization of M-4 positive allosteric modulators (PAMs) within the 5-amino-thieno[2,3-c] pyridazine series of compounds. In this letter, we disclose our studies on tertiary amides derived from substituted azetidines. This series provided excellent CNS penetration, which had been challenging to consistently achieve in other amide series. Efforts to mitigate high clearance, aided by metabolic softspot analysis, were unsuccessful and precluded this series from further consideration as a preclinical candidate. In the course of this study, we found that potassium tetrafluoroborate salts could be engaged in a tosyl hydrazone reductive cross coupling reaction, a previously unreported transformation, which expands the synthetic utility of the methodology. (C) 2017 Elsevier Ltd. All rights reserved.

Application of 4949-44-4, 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 4949-44-4.

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

 

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.19430-93-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene, SMILES is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F, belongs to pyridazines compound. In a document, author is Zhou, Sheng-Bin, introduce the new discover, Application In Synthesis of 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene.

A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities

Seven new mixed-ligand complexes based on L [L = 3,6-bis(imidazol-1-yl) pyridazine], namely, [Ni(L)(2)(SCN)(2)](n) (1), [Cu-5(L)(1,2-BDC)(4)(mu 3-OH)(2)](n) (2), {[Cu-4(L)(2)(1,3-HBDC)(1,3-BDC)(mu 3-OH)(4)]center dot ClO4 center dot 2.6H(2)O}(n) (3), {[Ni(L)(1,4-BDC) H2O]center dot 0.25H(2)O}(n) (4), [Co(L)(1,3,5-H2BTC)(2)H2O](n) (5), {[Cu-2(L)(2,6-PYDC)(2)(H2O) 2]center dot 4.4H(2)O}(n) (6), and {[Co(L)(4,4′-OBA)]center dot 3.725H(2)O}(n) (7) [1,2-benzenedicarboxylic acid (1,2-H2BDC), 1,3benzenedicarboxylic acid (1,3-H2BDC), 1,4-benzenedicarboxylic acid (1,4-H2BDC), 1,3,5benzenetricarboxylic acid (1,3,5-H3BTC), 2,6-pyridine dicarboxylic acid (2,6-H2PYDC), and 4,4′-oxydibenzoic acid (4,4′-H(2)OBA)], have been synthesized by solvothermal reactions. Complexes 1 and 2 possess a two-dimensional (2D) layered structure, and the 2D framework of complex 1 can be rationalized to be a four-connected {4(4)center dot 6(2)} topological sql network, while 2 exhibits a similar topological network with pentanuclear [Cu-5(mu(3)-OH)(2)(mu(2)-COO-)(6)](2+) secondary building units (SBUs). Complex 3 presents an 8-connected sqc3 3D framework based on a chair-shaped [Cu-4(mu(3)-OH)(4)](4+) SBU with a Schlafli symbol of {4(24)center dot 6(4)}. Complex 4 displays a 3D framework with diamondoid topology, which includes L/Ni(II)/L helical chains. Complex 5 features a 1D chain structure formed by L ligands. Complex 6 shows a dinuclear structure, which is arranged into a 1D supramolecular chain by hydrogen-bonding interactions. The 3D framework of 7 presents a 4-connected porous architecture with a Schlafli symbol of {66}, the same as that of complex 4. The powder X-ray diffraction spectra, IR spectra, UV-vis absorption spectra and thermal stabilities of 1-7 have been investigated. Moreover, in the complex-catalyzed homocoupling reaction of 4-substituted aryl iodides, the catalytic activities of 1-7 have also been studied and discussed.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 19430-93-4 is helpful to your research. Application In Synthesis of 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene.

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