Category: pyridazines

Reference of 5469-69-2, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 5469-69-2, Name is 3-Amino-6-chloropyridazine, SMILES is C1=C(N=NC(=C1)Cl)N, belongs to pyridazines compound. In a article, author is Zhang, Chenghong, introduce new discover of the category.

Strategies to Mitigate the Bioactivation of Aryl Amines

The bioactivation of xenobiotics to yield reactive metabolites can lead to tolerability and toxicity concerns within a drug discovery program. Development of strategies for mitigating the metabolic liability of commonly encountered toxicophores, such as anilines, relies on an understanding of the relative tendency of these functionalities to undergo bioactivation. In this report, we present the first systematic study of the structure-activity relationships of the bioactivation of aryl amine fragments (molecular weight < 250 Da) using a glutathione (GSH) trapping assay in the presence of human liver microsomes and the reduced form of nicotinamide adenine dinucleotide phosphate. This study demonstrates that conversion of anilines to nitrogen-containing heteroarylamines results in a lower abundance of GSH conjugates in the order phenyl > pyrimidine approximate to pyridine > pyridazine. Introduction of electron-withdrawing functionality on the aromatic ring had a less pronounced effect on the extent of GSH conjugation. Examination of more drug-like compounds sourced from in-house drug discovery programs revealed similar trends in bioactivation between matched pairs containing (hetero)aryl amines. This study provides medicinal chemists with insights and qualitative guidance for the minimization of risks related to aryl amine metabolism.

Reference of 5469-69-2, 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 5469-69-2 is helpful to your research.

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, 4949-44-4, Name is Ethyl 3-oxopentanoate, SMILES is CCC(CC(OCC)=O)=O, in an article , author is Schnel, Anne, once mentioned of 4949-44-4, Application In Synthesis of Ethyl 3-oxopentanoate.

Mechanistic studies of an L-proline-catalyzed pyridazine formation involving a Diels-Alder reaction with inverse electron demand

The mechanism of an L-proline-catalyzed pyridazine formation from acetone and aryl-substituted tetrazines via a Diels-Alder reaction with inverse electron demand has been studied with NMR and with electrospray ionization mass spectrometry. A catalytic cycle with three intermediates has been proposed. An enamine derived from L-proline and acetone acts as an electron -rich dienophile in a [4 + 2] cycloaddition with the electron-poor tetrazine forming a tetraazabicyclo[2.2.2]octadiene derivative which then eliminates N-2 in a retro-Diels-Alder reaction to yield a 4,5-dihydropyridazine species. The reaction was studied in three variants: unmodified, with a charge-tagged substrate, and with a charge-tagged proline catalyst. The charge -tagging technique strongly increases the ESI response of the respective species and therefore enables to capture otherwise undetected reaction components. With the first two reaction variants, only small intensities of intermediates were found, but the temporal progress of reactants and products could be monitored very well. In experiments with the charge-tagged L-proline-derived catalyst, all three intermediates of the proposed catalytic cycle were detected and characterized by collision -induced dissociation (CID) experiments. Some of the CID pathways of intermediates mimic single steps of the proposed catalytic cycle in the gas phase. Thus, the charge-tagged catalyst proved one more time its superior effectiveness for the detection and study of reactive intermediates at low concentrations.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 4949-44-4, you can contact me at any time and look forward to more communication. Application In Synthesis of Ethyl 3-oxopentanoate.

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, 88-17-5, Name is 2-(Trifluoromethyl)aniline, SMILES is NC1=CC=CC=C1C(F)(F)F, in an article , author is Khan, Abida, once mentioned of 88-17-5, Recommanded Product: 88-17-5.

Discovery of Novel Pyridazine-Based Cyclooxygenase-2 Inhibitors with a Promising Gastric Safety Profile

Cyclooxygenase-2 (COX-2) is implicated in the development of chronic inflammatory diseases. Recently, pyridazine derivatives have emerged as a novel prototype to develop COX-2 inhibitors. Accordingly, some pyridazine-based COX-2 inhibitors are reported herein. The reaction of aldehyde 3 and different hydrazines yielded the corresponding hydrazones. The hydrazones were further derivatized to the title compounds, which were assessed for COX-1 and COX-2 inhibitory action, gastric ulcerogenic effects, and lipid peroxidation properties. Molecular docking studies and determination of the physicochemical parameters were also carried out. The allocated structures of the reported compounds were coherent with their spectroscopic data. The compounds 9a (IC50 = 15.50 nM, 114.77%), 9b (IC50 = 17.50 nM, 101.65%), 12 (IC50 = 17.10 nM, 104.03%), 16b (IC50 = 16.90 nM, 105.26%), and 17 (IC50 = 17.70 nM, 100.5%) displayed better COX-2 inhibition than celecoxib (IC50 = 17.79 nM, 100%). These outcomes were harmonious with the molecular docking studies of 9a, 9b, 12, 16b, and 17. These compounds also displayed comparable onset and the duration of action concerning celecoxib and indomethacin in the in vivo studies. No ulcerogenic effects were observed for 9a and 12, whereas 9b, 16b, and 17 showed an insignificant ulcerogenic effect compared to celecoxib. The compounds 9a, 9b, 12, 16b, and 17 displayed a better lipid peroxidation profile than celecoxib and indomethacin. The compounds 9a (%ABS = 84.09), 9b (%ABS = 84.09), 12 (%ABS = 66.87), 16b (%ABS = 75.02), and 17 (%ABS = 81.42) also displayed appreciable calculated absorption compared to celecoxib (%ABS = 82.09). The compounds 9a, 9b, 11, 16b, and 17 have been recognized and postulated as non-ulcerogenic COX-2 inhibitors with promising physicochemical parameters and gastric safety profile. These compounds may be useful candidates to combat diseases caused by higher levels of COX-2.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 88-17-5, you can contact me at any time and look forward to more communication. Recommanded Product: 88-17-5.

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

 

Electric Literature of 110-03-2, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 110-03-2, Name is 2,5-Dimethyl-2,5-hexanediol, SMILES is CC(C)(O)CCC(C)(C)O, belongs to pyridazines compound. In a article, author is de Geus, Mark A. R., introduce new discover of the category.

Fluorogenic Bifunctional trans-Cyclooctenes as Efficient Tools for Investigating Click-to-Release Kinetics

The inverse electron demand Diels-Alder pyridazine elimination reaction between tetrazines and allylic substituted trans-cyclooctenes (TCOs) is a key player in bioorthogonal bond cleavage reactions. Determining the rate of elimination of alkylamine substrates has so far proven difficult. Here, we report a fluorogenic tool consisting of a TCO-linked EDANS fluorophore and a DABCYL quencher for accurate determination of both the click and release rate constants for any tetrazine at physiologically relevant concentrations.

Electric Literature of 110-03-2, 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 110-03-2 is helpful to your research.

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

 

Electric Literature of 920-66-1, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 920-66-1, Name is 1,1,1,3,3,3-Hexafluoropropan-2-ol, SMILES is OC(C(F)(F)F)C(F)(F)F, belongs to pyridazines compound. In a article, author is Dadou, Said, introduce new discover of the category.

Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dinvdropyriaazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate

The asymmetric units of the title compounds both contain one nonplanar molecule. In 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one, C17H14N2O, (I), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 46.69 (9)degrees; the phenyl ring of the benzyl group is nearly perpendicular to the plane of the pyridazine ring, the dihedral angle being 78.31 (10)degrees. In methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate, C20H16C12N2O3, (II), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 21.76 (18)degrees, whereas the phenyl ring of the dichlorobenzyl group is inclined to the pyridazine ring by 79.61 (19)degrees. In the crystal structure of (I), pairs of N-H center dot center dot center dot O hydrogen bonds link the molecules into inversion dimers with an R-2(2)(8) ring motif. In the crystal structure of (II), C-H center dot center dot center dot O hydrogen bonds generate dimers with R-1(2)(7), R(2)(2)6) and R-2(2)(18) ring motifs. The Hirshfeld surface analyses of compound (I) suggests that the most significant contributions to the crystal packing are by H center dot center dot center dot H (48.2%), C center dot center dot center dot H/H center dot center dot center dot C (29.9%) and O center dot center dot center dot H/H center dot center dot center dot O (8.9%) contacts. For compound (II), H center dot center dot center dot H (34.4%), C center dot center dot center dot H/H center dot center dot center dot C (21.3%) and O center dot center dot center dot H/H center dot center dot center dot O (16.5%) interactions are the most important contributions.

Electric Literature of 920-66-1, 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 920-66-1.

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, 102-08-9, Name is N,N’-Diphenylthiourea, SMILES is S=C(NC1=CC=CC=C1)NC2=CC=CC=C2, in an article , author is Park, Chi Hoon, once mentioned of 102-08-9, SDS of cas: 102-08-9.

Design and Synthesis of Novel 3-(2-Aminopyridin-3-yl)-1,2,4-Triazolo [4,3-b]Pyridazine Derivatives as a Reversible Bruton’s Tyrosine Kinase Inhibitors

Bruton’s tyrosine kinase, a non-receptor TEC family kinase, plays key role in B cell differentiation, proliferation, and survival. B cell receptor regulates the B cell’s fate and cytokine release of B-lineage lymphoid leukemia cells which are deeply related with the pathogenesis of B-cell lineage of lymphoma and leukemia and autoimmune diseases. Thus, BTK protein regulation emerged as a promising therapeutic target for both various cancers and autoimmune diseases. Herein, we report the discovery of aminopyridin-1,2,4-triazolopyridazine derivatives as a reversible BTK inhibitor, and in vitro enzyme assay and cell based assay result were reported.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 102-08-9, you can contact me at any time and look forward to more communication. SDS of cas: 102-08-9.

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

 

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 920-66-1, Name is 1,1,1,3,3,3-Hexafluoropropan-2-ol, molecular formula is C3H2F6O, belongs to pyridazines compound. In a document, author is Alotaibi, Ghallab, introduce the new discover, COA of Formula: C3H2F6O.

Effects of glial glutamate transporter activator in formalin-induced pain behaviour in mice

Background Nociceptive pain remains a prevalent clinical problem and often poorly responsive to the currently available analgesics. Previous studies have shown that astroglial glutamate transporter-1 (GLT-1) in the hippocampus and anterior cingulate cortex (ACC) is critically involved in pain processing and modulation. However, the role of astroglial GLT-1 in nociceptive pain involving the hippocampus and ACC remains unknown. We investigated the role of 3-[[(2-Methylphenyl) methyl]thio]-6-(2-pyridinyl)-pyridazine (LDN-212320), a GLT-1 activator, in nociceptive pain model and hippocampal-dependent behavioural tasks in mice. Methods We evaluated the effects of LDN-212320 in formalin-induced nociceptive pain model. In addition, formalin-induced impaired hippocampal-dependent behaviours were measured using Y-maze and object recognition test. Furthermore, GLT-1 expression and extracellular signal-regulated kinase phosphorylation (pERK1/2) were measured in the hippocampus and ACC using Western blot analysis and immunohistochemistry. Results The LDN-212320 (10 or 20 mg/kg, i.p) significantly attenuated formalin-evoked nociceptive behaviour. The antinociceptive effects of LDN-212320 were reversed by systemic administration of DHK (10 mg/kg, i.p), a GLT-1 antagonist. Moreover, LDN-212320 (10 or 20 mg/kg, i.p) significantly reversed formalin-induced impaired hippocampal-dependent behaviour. In addition, LDN-212320 (10 or 20 mg/kg, i.p) increased GLT-1 expressions in the hippocampus and ACC. On the other hand, LDN-212320 (20 mg/kg, i.p) significantly reduced formalin induced-ERK phosphorylation, a marker of nociception, in the hippocampus and ACC. Conclusion These results suggest that the GLT-1 activator LDN-212320 prevents nociceptive pain by upregulating astroglial GLT-1 expression in the hippocampus and ACC. Therefore, GLT-1 activator could be a novel drug candidate for nociceptive pain. Significance: The present study provides new insights and evaluates the role of GLT-1 activator in the modulation of nociceptive pain involving hippocampus and ACC. Here, we provide evidence that GLT-1 activator could be a potential therapeutic utility for the treatment of nociceptive pain.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 920-66-1. COA of Formula: C3H2F6O.

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. 2231-57-4, Name is Carbonothioic dihydrazide, molecular formula is CH6N4S. In an article, author is Wang, Yujie,once mentioned of 2231-57-4, Application In Synthesis of Carbonothioic dihydrazide.

A donor-acceptor-donor-type conjugated polymer-modified TiO2 with enhanced photocatalytic activity under simulated sunlight and natural sunlight

A low bandgap donor-acceptor-donor (D-A-D)-type conjugated polymer, poly(3,6-bis(3,4-ethylenedioxythienyl)pyridazine) (poly(EPE)), including 3,4-ethylenedioxythiophene as donor (D) and pyridazine as acceptor (A) units were synthesized. The nanocomposites (poly(EPE)/TiO2) of D-A-D-type conjugated polymer and TiO2 with different weight percentage of poly(EPE) were successfully prepared by an in situ chemical oxidative polymerization method. The structure and morphology of nanocomposites were investigated by Fourier transform infrared spectroscopy, UV-Vis diffuse reflectance spectra (UV-Vis/DRS), scanning electron microscopy images and transmission electron microscopy images. The structural and morphological studies revealed that the poly(EPE) was entrapped in the TiO2 nanoparticles. The photocatalytic activities of nanocomposites were measured by the photodegradation of methyl orange (MO) aqueous solutions under simulated sunlight and natural sunlight irradiation, respectively. The pseudo-first-order kinetic constants of photocatalytic degradation of MO under simulated sunlight and natural sunlight irradiation with 8 wt% poly(EPE)/TiO2 were 4.39 and 4.04 times as great as that of pure TiO2, respectively, exhibiting greater photocatalytic performance.

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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. COA of Formula: C7H6F3N, 88-17-5, Name is 2-(Trifluoromethyl)aniline, SMILES is NC1=CC=CC=C1C(F)(F)F, in an article , author is Zierkiewicz, Wiktor, once mentioned of 88-17-5.

S center dot center dot center dot N chalcogen bonded complexes of carbon disulfide with diazines. Theoretical study

Carbon disulfide complexes with diazine (pyridazine, pyrimidine or pyrazine) have been studied by density functional BLYP-D3 and ab initio CCSD(T) methods. All possible conformers of these complexes have been found. In the chalcogen bonded complexes, the CCSD(T)/cc-pvtz calculated interaction energies (Delta E) range between -0.89 and -2.19 kcal mol(-1). These complexes are more stable than those stabilized by hydrogen bond. The linear correlation between the DE and the most negative values of the electrostatic potential surfaces (V-s,V-min) on the nitrogen atom of the diazines has been found. According to the symmetry- adapted perturbation theory (SAPT) analysis, in the chalcogen bonded complexes among all of the attraction forces the electrostatic component is the most important one, while in the hydrogen bonded and stacking complexes the dispersion contribution is the leading term. Moreover, the Natural Bond Orbitals (NBO), AIM and Noncovalent Interaction Index (NCI) analyses have been performed. (C) 2017 Elsevier B. V. All rights reserved.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 88-17-5, you can contact me at any time and look forward to more communication. COA of Formula: C7H6F3N.

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. Category: pyridazines, 1799-84-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate, SMILES is CC(C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O)=C, in an article , author is Filali, Mouad, once mentioned of 1799-84-4.

Supramolecular arrangements of novel clickable 4-substituted 3,6-bis(2 ‘-pyridyl)pyridazine molecules

The clickable reaction between the starting 3,6-bis(2′-pyridyl)-1,2,4,5-tetrazine (bptz) with a series of terminal alkynes-containing functional biomolecules [prop-2-yn-1-ol, 4-(prop-2′-yn-1′-yl)morpholine and D-galactose] by means of an inverse electron demand Diels-Alder pathway has been studied and four new 4-substituted 3,6-bis(2′-pyridyl)pyridazine derivatives (4-Rdppn) were isolated, namely 4-(hydroxymethyl)-3,6-di(pyridin-2-yl)pyridazine (1), 4-((prop-2-yn-1-yloxy)methyl)-3,6-di(pyridin-2-yl) pyridazine (2) obtained by post-etherification reaction of 1, 4-(morpholinemethyl)-(3,6-dipyridin-2-yl) pyridazine monohydrate (3) and 3,6-di(pyridin-2-yl)-4-(2,2,7,7-tetramethyltetrahydro-5H-bis([1,3] dioxo)[4,5-b:4′,5’-d]pyran-5-yl)methoxy)methyl)pyridazine (4). The four new compounds were characterized by elemental analysis, IR spectroscopy and H-1/C-13 NMR and the crystal structures of 1-3 were solved by single crystal X-ray diffraction to elucidate their molecular structure. In the light of their structural knowledge, an analysis of the role of the substituent and steric effects on the crystal packing is carried out. Focusing on their dppn fragment of 1-3, an approximate s-trans/s-trans-conformation of the rings occurs as in the free dppn molecule and the bond lengths and angles agree with those reported for this molecule. pi-pi interactions and hydrogen bonds involving the substituents occur in 1 and 2. In addition, the water molecule of crystallization in 3 plays an important role in determining the crystal packing. (C) 2020 Elsevier B.V. All rights reserved.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 1799-84-4, you can contact me at any time and look forward to more communication. Category: pyridazines.

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