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. 1538-08-5, Name is 2,2,2-Trifluoroacetohydrazide, molecular formula is C2H3F3N2O. In an article, author is Hamad, Asad,once mentioned of 1538-08-5, HPLC of Formula: C2H3F3N2O.

Development of sulfonamide-based Schiff bases targeting urease inhibition: Synthesis, characterization, inhibitory activity assessment, molecular docking and ADME studies

A series of Sulfonamide-based Schiff bases (E)-4-(benzylideneamino)-N-(6-methoxypyridazin-3-yl) benzenesulfonamide (3a-r) targeting Urease Inhibition was synthesized from sulphamethoxy pyridazine and substituted aldehydes. The prepared compounds were characterized by various spectroscopic techniques including FTIR, (HNMR)-H-1, (CNMR)-C-13, and spectrometric HRMS analysis. The most active agent (3g) bearing halogens and -OH groups gave IC50 value of 2.20 mu M for urease inhibition against the standard Thiourea (IC50 = 20.03 +/- 2.06) and the overall trend within the series was 3g > 3n > 3p > 3j > 3q > 3h, 3o > 3l, 3r > 3k, 3m > 3a > 3d > 3e > 3f. Structure-activity relationship study established that the nature as well as the position of varying groups attached to aryl group had crucial roles in defining the urease inhibition activity. Additionally, in silico investigation was carried out which demonstrated that the compounds exhibit polar and apolar contacts with the crucial residues in the binding site of urease. The ADME analysis suggested all the synthesized compounds to be non-toxic, and likely to undergo passive gastrointestinal absorption. Taken together, the study suggests that the synthesized Sulfonamide-based Schiff bases derivatives may serve as potential hits as urease inhibitors.

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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 Liu, Jiao-Li, once mentioned the application of 50681-25-9, Name is 4-Pyridazinecarboxylic Acid, molecular formula is C5H4N2O2, molecular weight is 124.1, MDL number is MFCD00011576, category is pyridazines. Now introduce a scientific discovery about this category, SDS of cas: 50681-25-9.

Chemiluminescence imaging of UVA induced reactive oxygen species in mouse skin using L-012 as a probe

Reactive oxygen species (ROS) caused by ultraviolet A (UVA) can be reduced by treating with antioxidants and photoprotective reagents. Here we reported a real-time chemiluminescence (CL) imaging method which was simple, non-invasive and sensitive to evaluate UVA-induced ROS generation and the efficacy of sunscreens and antioxidants in vivo. The in vitro experiments indicated that l-ascorbic acid, live SPSC01 yeast, and its intracellular metabolites can suppress the intensity of CL signals in the presence of hydrogen peroxide, which proved the good antioxidant ability of them. Meanwhile, we used 8-amino-5-chloro-7-phenylpyrido[3,4-d] pyridazine-1,4(2H,3H) dione (L-012) as a high sensitive CL probe for in vivo imaging of ROS generated by UVA irradiation. The CL intensity was reduced after treated with l-ascorbic acid and SPSC01 yeast intracellular metabolites, consistent with the in vitro results. Additionally, the in vivo protective capability of two azobenzene compounds as sunscreens was confirmed further through the suppression of CL signals of UVA-induced ROS in mouse skin by this method.

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

 

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. 1538-08-5, Name is 2,2,2-Trifluoroacetohydrazide, molecular formula is C2H3F3N2O. In an article, author is Mashuga, Motsie E.,once mentioned of 1538-08-5, Quality Control of 2,2,2-Trifluoroacetohydrazide.

Experimental and computational mediated illustration of effect of different substituents on adsorption tendency of phthalazinone derivatives on mild steel surface in acidic medium

Four 1-(2H)-phthalazinone substituted compounds were investigated for their anticorrosion potentials on mild steel in 1 M HCl using electrochemical techniques, namely Tafel polarization and impedance spectroscopy. Fourier Transform Infrared (FTIR) spectroscopic technique was used to substantiate the interaction of the phthalazinone molecules with mild steel. Potentiodynamic polarization study suggested that inhibitor compounds exhibitedmixed-type corrosion inhibition activities by repressing both oxidative steel dissolution and reductive hydrogen evolution reactions. Adsorption of the phthalazinone molecules on mild steel surface was modeled in Monte Carlo simulations. AC impedance spectroscopy measurements revealed that the corrosion of mild steel in the studied electrolytes is driven by single charge transfer mechanism and the studied phthalazinone molecules reduced the steel dissolution by forming adsorbed pseudo-capacitive film on the steel surface. Scanning electron microscopy plates showed the protective effects of the inhibitor molecules. The inhibition efficiencies of the studied phthalazinone molecules followed the order, P3 (78.25%) > P1 (77.24%) > P2 (76.60%) > P4 (67.86%) at 500 ppm. Both quantum chemical calculations and Monte Carlo simulations corroborated experimental results. (C) 2020 Published by Elsevier B.V.

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

 

Chemistry, like all the natural sciences, Formula: C7H6F3N, begins with the direct observation of nature¡ª in this case, of matter.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 Feraldi-Xypolia, Alexandra, introduce the new discover.

Synthesis of -(Trifluoromethyl)pyridazine Derivatives

Over the last decades, an increasing interest in -(trifluoromethyl)pyridazines in medicinal chemistry has been noticed. This interest stems firstly from the recent development of biologically active pyridazines as well as from the capacity of the pyridazine ring to be a bioisoster of other heterocycles. Secondly, due to the influence of a fluorine atom on the chemical and physico-chemical properties of organic compounds, fluorinated pyridazines have been an attractive scaffold for medicinal chemists. Consequently, the methods that allow the synthesis of fluorinated pyridazines, and more specifically pyridazines possessing either one or two CF3 groups to the nitrogen atoms, are of great interest and are reported in this review.

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 88-17-5. Formula: C7H6F3N.

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

 

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, COA of Formula: CH6N4S, 2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Hasegawa, Takeshi, introduce the new discover.

A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method

A systematic study of the binding affinities of 16 lead compounds targeting the Pim-1 kinase based on the 3DRISM/KH theory and MD simulations is reported. The results show a correlation coefficient R = 0.69 between the theoretical and experimental values of the binding free energy. This demonstrates that the method is applicable to the problem of compound screening and lead optimization, for which relative values of the free energy among the compounds have significance. We elucidate the contribution of the ligand fragments to the binding free energy. Our results indicate that the interactions between the residues and the triazolo[4,3-b]pyridazine scaffold as well as the phenyl ring of the ligand molecule make significant contributions to stabilization of the complex. Using the 3D-RISM/KH theory, we further analyze the probability distribution of a ligand fragment around the protein ligand complex in which the substituent around the phenyl ring is removed from the ligand. The results demonstrate that the 3D-RISM/KH theory is capable of predicting the position of substitution on a ligand that has a higher affinity to a target protein.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 2231-57-4. COA of Formula: CH6N4S.

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

 

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 103-85-5, Name is 1-Phenylthiourea, SMILES is S=C(N)NC1=CC=CC=C1, in an article , author is Olejniczak, Anna, once mentioned of 103-85-5, Recommanded Product: 1-Phenylthiourea.

Crystal design by CH center dot center dot center dot N and N center dot center dot center dot N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds

High-nitrogen-content compounds 6-azido-1,2,4-triazolo[4,3-b]pyridazine (C5H3N7) and its 3-methyl derivative (C6H5N7) have been in situ crystallized in a diamond-anvil cell and their structures determined by single-crystal X-ray diffraction. Under ambient and high-pressure conditions the crystallizations yield the same phases: the C5H3N7 anhydrate and C6H5N7 hydrated clathrate. In both the structures there are clearly distinguished regions of short CH center dot center dot center dot N and N center dot center dot center dot N intermolecular contacts, the latter involving exclusively the azide groups. High pressure initially increases the contents of water in the channel pores of the clathrate.

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

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 1538-08-5, Name is 2,2,2-Trifluoroacetohydrazide, molecular formula is C2H3F3N2O. In an article, author is Mondal, Sandip,once mentioned of 1538-08-5, Application In Synthesis of 2,2,2-Trifluoroacetohydrazide.

A Redox-Active Cascade Precursor: Isolation of a Zwitterionic Triphenylphosphonio-Hydrazyl Radical and an Indazolo-Indazole Derivative

A redox-active [ML] unit (M = Co-II and Mn-II; LH2 = N’-(1,4-dioxo-1,4-dihydronaphthalen-2-y1)benzohydrazide) defined as a cascade precursor that undergoes a multicomponent redox reaction comprising of a C-N bond formation, tautomerization, oxidation, C-C coupling, demetalation, and affording 6,14-dibenzoylbenzo[f]benzo [5,6] in dazolo [3a,3-c] indazole-5,8,13,16-tetraone (L-Ind(2)) is reported. Conversion of LH2 -> L-Ind(2) in air is overall a (6H(+)+6e) oxidation reaction, and it opens a route for the syntheses of bioactive diarylindazolo [3a,3-c]indazole derivatives. The reaction occurs via a radical coupling reaction, and the radical intermediate was isolated as a triphenylphosphonio adduct. In presence of PPh3 the [ML] unit promotes a reaction that involves a C-P bond formation, tautomerization, and oxidation to yield a stable zwitterionic triphenylphosphonio-hydrazyl radical (L-PPh3(+/-center dot)). Conversion of LH2 -> L-PPh3(+/-center dot) is a (3H(+)+3e) oxidation reaction. To authenticate the [ML], unit, in addition to the L-Ind(2) a zinc(II) complex, [(L-3)Zn-II(H2O)Cl]center dot 2Me0H (1.2MeOH), was successfully isolated (L3H = a pyridazine derivative of 1,4 naphthoquinone) from a reaction of LH2 with hydrated ZnCl2. Conversion of 3LH(2) -> 1 is also a multicomponent (6H(+)+6e) oxidation reaction promoted by zinc(II) ion via a radical intermediate. Facile oxidation of [L2-] to [L.-] that was considered as an intermediate of these conversions was confirmed by isolating a 1,4 naphthoquinone-benzhydrazyl radical (LH.) complex, [(LH center dot)Zn-II(H2O)Cl-2] (2H(center dot)). The intermediates of LH2 -> L-Ind(2), LH2 -> L-PPh3(+/-center dot), and 3LH(2) -> 1 conversions were analyzed by electrospray ionization mass spectroscopy. The molecular and electronic structures of L-PPh3(+/-center dot) (Ind)L2, 1.2MeOH, and 2H(center dot) were confirmed by single-crystal X-ray crystallography, electron paramagnetic resonance spectroscopy, and density functional theory calculations.

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

 

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 103-85-5, Name is 1-Phenylthiourea. In a document, author is Thakkar, Ajit J., introducing its new discovery. Recommanded Product: 103-85-5.

Dipole oscillator strength distributions, sum rules, mean excitation energies, and isotropic van der Waals coefficients for benzene, pyridazine, pyrimidine, pyrazine, s-triazine, toluene, hexafluorobenzene, and nitrobenzene

Experimental, theoretical, and additive-model photoabsorption cross sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and the high-energy behavior of the dipole oscillator strength density are used to construct dipole oscillator strength distributions for benzene, pyridazine (1,2-diazine), pyrimidine (1,3-diazine), pyrazine (1,4-diazine), s-triazine (1,3,5-triazine), toluene (methylbenzene), hexafluorobenzene, and nitrobenzene. The distributions are used to predict dipole sum rules S(k) for -6 <= k <= 2, mean excitation energies I(k) for -2 <= k <= 2, and isotropic van der Waals C-6 coefficients. A popular combination rule for estimating C-6 coefficients for unlike interactions from the C-6 coefficients of the like interactions is found to be accurate to better than 1% for 606 of 628 cases (96.4%) in the test set. I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 103-85-5 help many people in the next few years. Recommanded Product: 103-85-5.

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

 

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. 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2. In an article, author is Rodriguez-Jimenez, Santiago,once mentioned of 455-24-3, Application In Synthesis of 4-(Trifluoromethyl)benzoic acid.

A Simple Method of Predicting Spin State in Solution

A simple method, using density functional theory (DFT), of predicting spin-state in advance of synthesis is reported. Specifically, an excellent correlation is observed between the switching temperatures (T-1/2) in CDCl3 solution of five spin-crossover (SCO)-active [Fe-II(L-azine)(2)(NCBH3)(2)] complexes and the DFT-calculated (and observed) N-15 NMR chemical shift (delta(NA)) of the five different azine-substituted 1,2,4-triazole ligands employed, L-azine = 4-(4-methylphenyl)-3-pheny1-5-(azine)-1,2,4-triazole, where azine = pyridine, pyridazine, 4-pyrimidine, pyrazine, and 2-pyrimidine. To test the generality of this finding, DFT was also employed, to readily predict the delta(NA) values for a family of 16 literature ligands, known as bpp(X,Y) [X,Y-substituted 2,6-(pyrazol-1-yl)pyridines], which have produced 16 SCO-active [Fe-II(bpp(X,Y))(2)](Z)(2) complexes (Z = BF4 or in one case PF6) in (CD3)(2)CO solution: again an excellent correlation was found between the computed delta(NA) and the observed T-1/2. These correlations represent a key advance in the field, as they allow a simple DFT calculation on a modified ligand to be used to reliably predict, before synthesis of the ligand or complex, the T-1/2 that would result from that modification. Achieving such easily predictable tuning of T-1/2, and hence of spin-state, is a significant step forward in the field of SCO and also has big implications in many other fields in which spin-state is key, including catalysis, metallo-enzyme modeling studies, and host-guest chemistry.

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

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 50681-25-9, Name is 4-Pyridazinecarboxylic Acid, molecular formula is C5H4N2O2. In an article, author is Liu, Y. Q.,once mentioned of 50681-25-9, Product Details of 50681-25-9.

A Water Soluble Zinc(II) Coordination Polymer Containing Pyridazine-4,5-Dicarboxylic Acid: The Crystal Structure and Binding Properties with DNA

New water soluble complex [Zn(HPDDA)(2)(H2O)(2)(4,4′-Bipy)(2)] (n) (I), where H(2)PDDA is pyridazine- 4,5-dicarboxylic acid, 4,4′-Bipy = 4,4′-bipyridine), has been prepared by hydrothermal reaction and structurally characterized by X-ray single-crystal diffraction analysis (CIF file CCDC no. 835525 ) and elemental analysis. In I, each Zn2+ ion is six-coordinated by two oxygen atoms from the two HPDDA ligands, two nitrogen atoms from two 4,4′-Bipy and two oxygen atoms from two water molecules. The interactions of I with calf thymus DNA were studied by circular dichroism spectroscopy. The results indicated that this water soluble zinc complex show moderate binding with DNA and could be used for candidate for therapy of cancer.

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