Category: pyridazines

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Delivering strong H-1 nuclear hyperpolarization levels and long magnetic lifetimes through signal amplification by reversible exchange

Hyperpolarization turns typically weak NMR and MRI responses into strong signals so that ordinarily impractical measurements become possible. The potential to revolutionize analytical NMR and clinical diagnosis through this approach reflect this area’s most compelling outcomes. Methods to optimize the low-cost parahydrogen-based approach signal amplification by reversible exchange with studies on a series of biologically relevant nicotin-amides and methyl nicotinates are detailed. These procedures involve specific H-2 labeling in both the agent and catalyst and achieve polarization lifetimes of ca. 2 min with 50% polarization in the case of methyl-4,6-d(2)-nicotinate. Because a 1.5-T hospital scanner has an effective H-1 polarization level of just 0.0005% this strategy should result in compressed detection times for chemically discerning measurements that probe disease. To demonstrate this technique’s generality, we exemplify further studies on a range of pyridazine, pyrimidine, pyrazine, and isonicotinamide analogs that feature as building blocks in biochemistry and many disease-treating drugs.

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

 

Application of 2231-57-4, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a article, author is Makala, Himesh, introduce new discover of the category.

Identification of novel scaffolds to inhibit human mitotic kinesin Eg5 targeting the second allosteric binding site using in silico methods

Human mitotic kinesins are potential anticancer drug targets because of their essential role in mitotic cell division. The kinesin Eg5 (Kinesin-5, kif11) has gained much attention in this regard and has many inhibitors in different phases of clinical trials. All drug candidates considered for Eg5 so far binds to the binding site (Site 1) formed by the loop L5, helices alpha 2 and alpha 3 and are uncompetitive to ATP/ADP. Recently, it has been reported that Eg5 also has a second binding site (Site 2) formed by helices alpha 4 and alpha 6. In the current work, we have screened the compounds in the diversity set-III from National Cancer Institute (NCI) and Zinc database to identify potential inhibitors for Eg5 that specifically binds to the site 2. The compounds were ranked based on the glide extra precision docking scores and the top ranked compounds were found to have pyridazine scaffold. The top five compounds were further evaluated for other drug like properties. Stability of protein-ligand complexes were analyzed using molecular dynamic simulations. Our studies suggest that pyridazine analogs have good MDCK, permeability properties and high binding affinity to the human Eg5.

Application of 2231-57-4, 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 2231-57-4 is helpful to your research.

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

 

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Transforming Polybutadiene with Tetrazine Click Chemistry into Antioxidant Foams That Fluoresce with Oxidation

The extent to which oxidative degradation of macromolecules can be delayed is generally limited by the low solubility of antioxidants in most polymers. This can be surmounted by synthesizing macromolecule? with covalently attached antioxidant functionalities, but these are frequently expensive. Here, we demonstrate a simple click modification of polybutadienes (PDB) with 3,6-dichloro-1,2,4,5-tetrazine (DCT) that, in addition to modifying and stiffening the polymer chains, releases nitrogen gas to foam the solidifying polymers and generates dihydropyridazine groups that transform them into macromolecular antioxidants. Tetrazines react by a cycloaddition/cycloreversion reaction (Carboni Lindsey reaction) with the C=C bonds to install 1,4-dihydropyridazine groups that increase the mass and rigidity of the butadiene macromolecules. The 1,4-dihydropyridazine group is an effective antioxidant that donates two hydrogen atoms per ring to combine with radicals and forms an aromatic pyridazine ring whose white fluorescence under UV permits visual monitoring of oxidation. Foams made by reacting liquid hydroxyl-terminated polybutadienes with DCT stabilize with thermoset formation through substitution reactions between the hydroxyl and dichlorodihydropyridazine groups.

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

 

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Molecular, vibrational (FT-IR and FT-Raman), NMR and UV spectral analysis of imidazo[1,2-b]pyridazine using experimental and DFT calculations

A combined experimental and theoretical study on molecular and vibrational structure of imidazo[1,2-b]pyridazine (IP) was carried out. In this work, molecular geometry and vibrational frequencies of IP in the ground state have been calculated using the density functional method, B3LYP/6-311++G (d,p) level. The vibrational spectra (FT-IR and FT-Raman) H-1 NMR, C-13 NMR and UV of IP have been experimentally recorded. The optimized geometry was in good agreement with the reported experimental values obtained from the X-ray crystal structure of IP in IP monohydrate. The scaled down vibrational frequencies calculated at 6-311++G(d,p) level correlated well with the experimental values. The theoretical spectrograms of FT-IR, FT-Raman, H-1 NMR, C-13 NMR and UV of the title compound have been constructed and compared with experimental spectra.

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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 Ergan, Erdem, once mentioned of 401-78-5, Recommanded Product: 3-Bromobenzotrifluoride.

STUDIES ON THEORETICAL CALCULATIONS OF CORROSION INHIBITION BEHAVIOR OF PYRIDAZINE AND PYRAZOLE DERIVATIVES

The corrosion inhibition behaviors were investigated earlier synthesized pyridazine and pyrazole derivatives. The quantum chemical parameters of compounds calculated using density functional theory (DFT) at B3LYP/6-31G (d, p) level. Theoretical calculations showed that the compound BMPPCN could be used as a corrosion inhibitor.

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

 

455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2, belongs to pyridazines compound, is a common compound. In a patnet, author is Adam, Rosa, once mentioned the new application about 455-24-3, Product Details of 455-24-3.

Synthesis of Novel Polyazinyl-Substituted Triazolopyridines from [1,2,3]Triazolo[1,5-a]pyridines

A series of 7-azinyl-substituted triazolopyridines and 3-(6-azinyl-substituted 2-pyridyl)triazolopyridines were synthesized by addition of the corresponding 3-substituted 7-lithiotriazolopyridine to pyrimidine, pyrazine, pyridazine, and 1,3,5-triazine respectively, followed by hydrolysis and oxidation.

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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. 1799-84-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate, molecular formula is C10H9F9O2. In an article, author is Roy, Soumya S.,once mentioned of 1799-84-4, Recommanded Product: 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate.

A simple and cost-efficient technique to generate hyperpolarized long-lived N-15-N-15 nuclear spin order in a diazine by signal amplification by reversible exchange

Signal Amplification by Reversible Exchange (SABRE) is an inexpensive and simple hyperpolarization technique that is capable of boosting nuclear magnetic resonance sensitivity by several orders of magnitude. It utilizes the reversible binding of para-hydrogen, as hydride ligands, and a substrate of interest to a metal catalyst to allow for polarization transfer from para-hydrogen into substrate nuclear spins. While the resulting nuclear spin populations can be dramatically larger than those normally created, their lifetime sets a strict upper limit on the experimental timeframe. Consequently, short nuclear spin lifetimes are a challenge for hyperpolarized metabolic imaging. In this report, we demonstrate how both hyperpolarization and long nuclear spin lifetime can be simultaneously achieved in nitrogen-15 containing derivatives of pyridazine and phthalazine by SABRE. These substrates were chosen to reflect two distinct classes of N-15(2)-coupled species that differ according to their chemical symmetry and thereby achieve different nuclear spin lifetimes. The pyridazine derivative proves to exhibit a signal lifetime of similar to 2.5 min and can be produced with a signal enhancement of similar to 2700. In contrast, while the phthalazine derivative yields a superior 15 000-fold N-15 signal enhancement at 11.7 T, it has a much shorter signal lifetime.

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

 

Electric Literature of 375395-33-8, 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. 375395-33-8, Name is N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide, SMILES is CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O, belongs to pyridazines compound. In a article, author is Wang, Shengqiang, introduce new discover of the category.

Synthesis of functionalized 3-arylpyridazines via Pd-catalyzed decarboxylative cross-coupling of pyridazine-3-carboxylic acids

An efficient and general protocol for the decarboxylative cross-coupling of pyridazine-3-carboxylic acids with aryl-bromides has been described. This method provides a new avenue for the synthesis of 3-arylpyridazines via decarboxylative cross-coupling strategy by employing the dual-catalyst system of Pd(PPh3)(4)/Cu2O in the presence of Li2CO3 at 160 degrees C in DMA. (C) 2017 Elsevier Ltd. All rights reserved.

Electric Literature of 375395-33-8, 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 375395-33-8 is helpful to your research.

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

 

Application of 103-85-5, 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. 103-85-5, Name is 1-Phenylthiourea, SMILES is S=C(N)NC1=CC=CC=C1, belongs to pyridazines compound. In a article, author is Josefa, Paat-Estrella, introduce new discover of the category.

Preparation of an oxetan-phenyltetrahydropyridazine-3,6-dione derivative using some chemistry tools

The aim of this study was to synthesize a new oxetan-phenyltetrahydropyridazine-3,6-dione derivative (compound 6) using different techniques. The first method was achieved by the preparation of a phenylhydrazine derivative (2) using three-components system (3,17-aldol-estradiol, phenylhydrazine, 5-hexyn-3-ol) in the presence of Copper(II). Then, 2 was reacted with tert-butyldimethylsilyl chloride to form the compound 3 (trimethylbutan-silyloxy-steroid-hydrazine). Following, a pyridazine derivative (4) was prepared by the reaction of 3 with succinic acid using boric as catalyst. The compound 4 was reacted with hydrofluoric acid to form the tetrahydropyridazine-3,6-dione (5). Finally, the preparation of 6 was carried out by the reaction of 5 with CopperII. Spectroscopy analyses NMR was used to confirm the chemical structure of compounds. In conclusion, a facile method to synthesize an oxetan-phenyltetrahydropyridazine-3,6-dione is reported.

Application of 103-85-5, 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 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. 2605-67-6, Name is Methyl 2-(triphenylphosphoranylidene)acetate, molecular formula is C21H19O2P. In an article, author is Ben Ali, Ridha,once mentioned of 2605-67-6, Category: pyridazines.

Synthesis and evaluation of analgesic, behavioral effects and chronic toxicity of the new 3,5-diaminopyrazole and its precursor the thiocyanoacetamide

A This study aimed to explore the analgesic, antioxidant, behavioral and toxicological effects of 3,5-diaminopyrazole and thiocyanoacetamide. Caffeine was used as reference drug whose effects are known after oral treatment with an efficient dose (10 mg/kg/day) for 30 days. The preliminary bioassays indicated that both compounds at this dose have strong antioxidant capacities and present highly analgesic effects. The behavioral study showed an activation of the rat memory by thiocyanoacetamide. This molecule caused a phobia state to open areas in the elevated plus maze and specifically agoraphobia in the open field with a lack in the development of the exploratory capacity. 3,5-Diaminopyrazole caused memory troubles in rats that forgot the pathway to the exit from the maze, and induced an anxiety state revealed by immobility in closed arms of the elevated plus maze. All these observations were compared to the treatment by the known analgesic, caffeine, which increased the state of vigilance of the rats and developed their exploratory capacity. The chronic treatment with the investigated compounds showed no sign of toxicity with the absence of effect on the body and organ weights, blood count, kidney and liver function and histology. 3,5-Diaminopyrazole and thiocyanoacetamide have potent antioxidant and analgesic activities that are higher than caffeine with a safety profile. The chronic treatment by thiocyanoacetamide activated the memory and caused an emotional state of agoraphobia, but 3,5-diaminopyrazole caused a memory impairment and an emotional state of anxiety. Thus, the present study warrants further investigations involving these novel molecules for a possible development of new strong analgesic and antioxidant drugs which have an effect on the memory capacity. (C) 2016 Elsevier Masson SAS. All rights reserved.

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