Category: pyridazines

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 Yengoyan, Aleksandr P.,once mentioned of 50681-25-9, SDS of cas: 50681-25-9.

Synthesis and Preliminary Biological Properties Assessment of Novel 2-S-, 4, 5-Substituted and Bicyclic Derivatives of 6-Methylpyrimidine-4-ol

A series of novel 2-S-, 4-, 5-substituted and bicyclic 6-methylpyrimidine-4-ol derivatives including pyrazole, 1,2,4-triazole and pyridazine moieties in the molecule were synthesized by accessible and efficient methods. Thiopyrazolyl derivatives were obtained from 2-mercapto-6-methylpyrimidin-4-ol. 4-Triazolyl and 4-aminotriazolylpyrimidines were synthesized from the quaternary ammonium salt of pyrimidine and 4-chloro-substituted 2-thiomethyl-6-methylpyrimidine, respectively. The reaction of potassium salt of 1-methyl-6-oxo-1,6-dihydropyridazin-3-ole with ethyl 2-chloro-3-oxobutanoate and subsequent treatment with thiourea led to 6-((4-hydroxy-2-mercapto-6-methylpyrimidin-5-yl)oxy)-2-methylpyridazin-3 (2H)-one. The reaction product of the latter with 3-chloropentan-2,4-dione was subjected to heterocyclization, which afforded the target bicyclic derivative of pyrimidine. The synthesized compounds showed a pronounced stimulating action on plants growth. Their growth stimulant activities were in the range of 60-93% compared to heteroauxin.

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

 

Chemistry, like all the natural sciences, Product Details of 2231-57-4, begins with the direct observation of nature¡ª in this case, of matter.2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Telo, Joao P., introduce the new discover.

Mixed valence radical anions of 4,4 ”-dinitro-p-terphenyl and its aza derivatives as models for electronic communication in conducting polymers

Cyclic voltanunetry, UV/Vis/NIR spectroscopy, EPR spectroscopy and theoretical calculations were used to study the mixed valence radical anions of 4,4 ”-dinitro-p-therphenyl (2), of 3,6-bis(4-nitrophenyl)-1,2-diazine (3) and of 2,5-bis(4-nitrophenyl)-1,4-diazine (4) as models to understand the effect of the structural changes on the conductivity of poly-p-phenylene polymers. All the results show an increase of the electronic communication between nitro groups in the order 2 < 3 < 4. Substitution of CH units by nitrogen atoms in the central aromatic ring lowers the reduction potential of the bridge, increasing the electronic coupling through the triaryl bridge and the rate of intramolecular electron transfer in the same order. Additionally, calculations show that the 1,2-diazine ring of 3, and specially the 1,4-diazine ring of 4, allow a higher planarity of the molecule by decreasing the steric strain between rings, which also increases the conjugation through the bridge. The results suggest that incorporating pyrazine (1,4-diazine) and pyridazine (1,2-diazine) units in poly-p-phenylene polymers should enhance the electronic properties of these conducting polymers. 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. Product Details of 2231-57-4.

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, 2605-67-6, Name is Methyl 2-(triphenylphosphoranylidene)acetate, SMILES is C3=C([P](C1=CC=CC=C1)(C2=CC=CC=C2)=CC(OC)=O)C=CC=C3, belongs to pyridazines compound. In a document, author is Moslin, Ryan, introduce the new discover, Name: Methyl 2-(triphenylphosphoranylidene)acetate.

Identification of N-Methyl Nicotinamide and N-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2)

As a member of the Janus OAK) family of nonreceptor tyrosine kinases, TYK2 plays an important role in mediating the signaling of pro-inflammatory cytokines including IL-12, IL-23, and type 1 interferons. The nicotinamide 4, identified by a SPA-based high-throughput screen targeting the TYK2 pseudokinase domain, potently inhibits IL-23 and IFN alpha signaling in cellular assays. The described work details the optimization of this poorly selective hit (4) to potent and selective molecules such as 47 and 48. The discoveries described herein were critical to the eventual identification of the clinical TYK2 JH2 inhibitor (see following report in this issue). Compound 48 provided robust inhibition in a mouse IL-12-induced IFN gamma pharmacodynamic model as well as efficacy in an IL-23 and IL-12-dependent mouse colitis model. These results demonstrate the ability of TYK2 JH2 domain binders to provide a highly selective alternative to conventional TYK2 orthosteric inhibitors.

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 2605-67-6 is helpful to your research. Name: Methyl 2-(triphenylphosphoranylidene)acetate.

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 Khalifa, Mohamed E., introduce new discover of the category.

Biological screening and assessment of certain substituted monoazo heterocycles containing sulphur and / or nitrogen and their seleno like moieties

The monoazo substituted five membered heterocycles, along with their seleno like moieties are still of interest in organic chemistry due to their medicinal and valuable applications. In continuation of our interest in the study of heterocyclic azo compounds containing sulphur and / or nitrogen heteroatoms, the synthesis of 5-aryl mono azo-thiazol-2-ylcarbamoyl-thiophene along with their seleno like derivatives of pyridine, pyridazine and quinolone, were accomplished. All the synthesized compounds were in vitro screening of their antioxidant activity, antitumor activity against Ehrlich ascites carcinoma cell EACC cell line and antimicrobial activity against various pathogenic microorganisms, such as Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) and Gram-negative bacteria (Escherichia coli and Salmonella typhimurium) and fungi strains of Aspergillus flavus and Candida albicans. The structural-activity relationship was studied based on the obtained data.

Electric Literature of 920-66-1, 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 920-66-1 is helpful to your research.

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

 

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 2605-67-6, Name is Methyl 2-(triphenylphosphoranylidene)acetate, SMILES is C3=C([P](C1=CC=CC=C1)(C2=CC=CC=C2)=CC(OC)=O)C=CC=C3, belongs to pyridazines compound. In a document, author is Saraswat, Mayank, introduce the new discover, SDS of cas: 2605-67-6.

Through bond and through space interactions in dehydro-diazine radicals: a case study of 3c-5e interactions

Owing to the 3c-5e (3-centred-5-electrons) interactions between two nitrogen lone pairs and a radical electron, the dehydrodiazine radical isomers are very interesting from the fundamental point of view. Among them, pyrimidine has three (1a-1c), pyridazine has two (2a and 2b) and pyrazine has only one (3a) radical isomer. Based on quantum chemical calculations at the (U) B3LYP, (U) M06-2X, (U) BLYP, CBS-QB3 and (U) CCSD(T) levels with cc-pVTZ as the basis set, we found the 4-dehydropyrimidine (1b) radical to be the most stable isomer among the three pyrimidine radicals, followed by the 2-dehydropyrimidine (1a) and 5-dehydropyrimidine (1c) radical isomers. In the case of pyridazine, 3-dehydro radical isomer (2a) is more stable than 4-dehydropyridazine (2b). Bond dissociation energy (BDE) calculations and estimation of radical stabilization energies (RSE) using isodesmic reactions revealed the stability order among the six isomeric diazine radicals as 1c < 2b < 2a < 1a < 3a < 1b. Spin densities at each radical centre and non-zero values at nitrogen centres provided information about the extent of delocalization of radical electrons, which was consistent with the relative stability order of all the isomers. The multiconfigurational CASSCF and natural bond orbital (NBO) calculations suggested the presence of direct through space interactions (between lone pairs and a radical, TS) that play a dominant role over the through bond (through intervening bonds, TB) interactions in deciding the stability order. To confirm these results, we have also estimated the proton affinities (PAs) for each nitrogen atom and compared them with their respective parent diazines, where lowering of the PA values convincingly envisaged the extent and strength of interactions between the nitrogen and radical centre. Atoms-in-molecules (AIM) analysis and estimation of hyperfine coupling constants have also been performed to verify these results. All these results showed that the through space interaction between the lone pair and the radical electron is very important for the electronic structural and stability aspects in dehydrodiazine radicals. 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 2605-67-6 is helpful to your research. SDS of cas: 2605-67-6.

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

 

In an article, author is Daoui, Said, once mentioned the application of 920-66-1, Safety of 1,1,1,3,3,3-Hexafluoropropan-2-ol, Name is 1,1,1,3,3,3-Hexafluoropropan-2-ol, molecular formula is C3H2F6O, molecular weight is 168.0378, MDL number is MFCD00011651, category is pyridazines. Now introduce a scientific discovery about this category.

Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one

In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)degrees, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624 (1)degrees. The molecular conformation is stabilized by weak intramolecular C-H center dot center dot center dot N contacts. In the crystal, 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. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from CH center dot center dot center dot H (56.6%), H center dot center dot center dot C/C H (22.6%), O center dot center dot center dot H/H center dot center dot center dot O (10.0%) and N center dot center dot center dot C/C center dot center dot center dot N (3.5%) interactions.

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

 

Synthetic Route of 2605-67-6, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 2605-67-6, Name is Methyl 2-(triphenylphosphoranylidene)acetate, SMILES is C3=C([P](C1=CC=CC=C1)(C2=CC=CC=C2)=CC(OC)=O)C=CC=C3, belongs to pyridazines compound. In a article, author is Ahmed, Eman M., introduce new discover of the category.

New pyridazine derivatives as selective COX-2 inhibitors and potential anti-inflammatory agents; design, synthesis and biological evaluation

New pyridazinone and pyridazinthione derivatives were designed, synthesized and identified through performing H-1 NMR, C-13 NMR, IR and MS spectroscopic techniques. All the newly synthesized derivatives were evaluated for cyclooxygenase inhibitory activity and COX-2 selectivity using celecoxib and indomethacin, as reference drugs. All compounds showed highly potent COX-2 inhibitory activity with IC50 values in nano-molar range. Moreover, they demonstrated higher selectivity towards COX-2 inhibition compared to indomethacin. Compounds 3d, 3g and 6a exhibited significantly increased potency towards COX-2 enzyme compared to celecoxib with IC50 values of 67.23, 43.84 and 53.01 nM, respectively. They were 1.1-1.7 folds more potent than celecoxib (IC50 = 73.53 nM) and extremely much more potent than indomethacin (IC50 = 739.2 nM). Of particular interest, Compound 3g showed SI of 11.51 which was as high as that of celecoxib (SI 11.78). This compound was further challenged by in vivo anti-inflammatory activity assay and gastric ulcerogenic effect. It showed comparable anti-inflammatory activity to indomethacin as positive control. Moreover, the anti-inflammatory activity of compound 3g was found to be equipotent to celecoxib. Furthermore, the selective COX-2 inhibitor 3g exhibited a superior gastrointestinal safety profile compared to the reference drugs celecoxib and indomethacin with less number of ulcers and milder ulcer score. The molecular docking study of this compound with COX-2 protein revealed more favorable binding mode compared to celecoxib, explaining its remarkable COX-2 inhibitory potency.

Synthetic Route of 2605-67-6, 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 2605-67-6 is helpful to your research.

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. 110-03-2, Name is 2,5-Dimethyl-2,5-hexanediol, SMILES is CC(C)(O)CCC(C)(C)O, in an article , author is Shainova, Roza S., once mentioned of 110-03-2, Formula: C8H18O2.

Synthesis and biological properties of novel 3-(pyrazol-1-yl)-6-oxopyridazine derivatives

The affordable and efficient methods for the syntheses of acyclic derivatives of 2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)acetohydrazine as well as compounds with a combination of pyrazolyl-pyridazine fragment with various azoles in the molecules have been developed. The synthesized compounds showed a stimulating action on plant growth.

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

 

Let¡¯s face it, organic chemistry can seem difficult to learn, Safety of 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene, Especially from a beginner¡¯s point of view. Like 19430-93-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene, molecular formula is C9H7NO3S, belongs to isoquinoline compound. In a document, author is Du, Qingwei, introducing its new discovery.

Chiral Phosphine-Phosphite Ligands in Asymmetric Gold Catalysis: Highly Enantioselective Synthesis of Furo[3,4-d]-Tetrahydropyridazine Derivatives through [3+3]-Cycloaddition

The Au-I-catalyzed reaction of 2-(1-alkynyl)-2-alken-1-ones with azomethine imines regio- and diastereoselectively affords furo[3,4-d]tetrahydropyridazines in a tandem cyclization/intermolecular [3+3]-cycloaddition process under mild conditions. By employing a chiral gold catalyst (prepared in situ from a Taddol-derived phosphine-phosphite ligand, Me2SAuCl, and AgOTf) high yields and enantioselectivities (up to 94% yield, up to 96%ee) are obtained. The method provides an efficient modular route to substituted heterotricyclic furan derivatives and can be easily scaled up (using catalyst loads of only 0.15 mol%).

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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. 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2. In an article, author is Kawano, Motoharu,once mentioned of 455-24-3, HPLC of Formula: C8H5F3O2.

ENHANCEMENT OF AMORPHOUS SILICA DISSOLUTION BY INTERACTION WITH SIX-MEMBERED RING HETEROCYCLIC COMPOUNDS

Six-membered ring heterocyclic compounds are widely present in the Earth’s surface environments as biological organic molecules composed of soil organic matter including plant and microbial residues, while little is known about their effect on the dissolution of silicate minerals including amorphous silica. To evaluate the effect of these biological molecules on amorphous silica dissolution, dissolution experiments were carried out by the flow-through method using 0.1 g of amorphous silica and 0.1 mM NaCl electrolyte solutions containing 0.0, 0.1, 1.0, or 10.0 mM of the heterocyclic compounds, piperidine (pK = 11.12), pyridine (pK = 5.25), or pyridazine (pK = 2.33), at a pH of 6, 5, or 4. Additionally, adsorption experiments of the compounds on the amorphous silica surface were performed to confirm the adsorption affinity for the amorphous silica surface. The results demonstrated that these heterocyclic compounds enhance the dissolution rate of amorphous silica in the following order: piperidine > pyridine > pyridazine. When 10.0 mM solutions were used, the heterocyclic compounds enhanced greatly the dissolution rate up to enhancement factors of 6.0 to similar to 14.8, 5.0 to similar to 14.0, and 1.0 to similar to 2.6 through an interaction of piperidine, pyridine, and pyridazine, respectively, in the pH range of approximately 6 to similar to 4. The adsorption experiments indicated that the heterocyclic compounds exhibited significant adsorption affinity for the amorphous silica surface as follows: piperidine > pyridine > pyridazine, which was consistent with the order of their effects on the dissolution enhancement. The geochemical calculation revealed that this order of enhancement was in good agreement with the concentrations of cationic species of heterocyclic compounds at corresponding pH conditions. Consequently, the enhancement of amorphous silica dissolution is likely to be influenced by the electrostatic complexation of the cationic species of the heterocyclic compounds with the negative >SiO- sites on the amorphous silica surface.

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