Month: December 2020

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.In a document type is Article, the author is Etinski, Mihajlo and a compound is mentioned, 253-52-1, Phthalazine, introducing its new discovery. 253-52-1

A theoretical study of low-lying singlet and triplet excited states of quinazoline, quinoxaline and phthalazine: Insight into triplet formation

Quinazoline, quinoxaline and phthalazine are nitrogen containing heterocyclic aromatic molecules which belong to the class diazanaphthalenes. These isomers have low-lying npi? and naphthalene-like pipi? states that interact via spin-orbit coupling. In this contribution, we study their structure and electronic states by means of a coupled-cluster method. The computed properties are compared to those of cinnoline which were obtained in our previous study [Etinski et al., Phys. Chem. Chem. Phys., 2014, 16, 4740]. The excited state features of these isomers are dependent on the position of the nitrogen atoms. We find that quinazoline and quinoxaline exhibit similarities in the ordering and character of the excited states. In contrast, a marked difference in the electronic and geometric structures of the lowest excited triplet states of cinnoline and phthalazine is noticed, although both are orthodiazanaphthalenes. Our findings suggest that the S1 T1 channel is responsible for the rapid intersystem crossing in quinazoline and quinoxaline, whereas the S1 T2 pathway is active in phthalazine.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N143 – PubChem

3682-14-2, In heterogeneous catalysis, the catalyst is in a different phase from the reactants. At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 3682-14-2, name is 6-Amino-2,3-dihydrophthalazine-1,4-dione. In an article£¬Which mentioned a new discovery about 3682-14-2

Characterization, quantification, and visualization of neutrophil extracellular traps

Following the discovery of neutrophil extracellular traps (NETs) in 2004 by Brinkmann and colleagues, there has been extensive research into the role of NETs in a number of inflammatory diseases, including periodontitis. This chapter describes the current methods for the isolation of peripheral blood neutrophils for subsequent NET experiments, including approaches to quantify and visualize NET production, the ability of NETs to entrap and kill bacteria, and the removal of NETs by nuclease-containing plasma.

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 3682-14-2 is helpful to your research. 3682-14-2

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Phthalazine – Wikipedia,
Phthalazine | C8H6N655 – PubChem

Let¡¯s face it, organic chemistry can seem difficult to learn. 253-52-1. Especially from a beginner¡¯s point of view. Like 253-52-1, Name is Phthalazine. In a document type is Article, introducing its new discovery.

Oxidative addition of methyl iodide to a new type of binuclear platinum(II) complex: A kinetic study

A new organodiplatinum(II) complex cis,cis-[Me2Pt(mu-NN)(mu- dppm)PtMe2] (1), in which NN = phthalazine and dppm = bis(diphenylphosphino)methane, is synthesized by the reaction of cis,cis-[Me2Pt(mu-SMe2)(mu-dppm)PtMe2] with 1 equiv of NN. Complex 1 has a 5dpi(Pt) ? pi*(imine) metal-to-ligand charge-transfer band in the visible region, which was used to easily follow the kinetics of its reaction with MeI. Meanwhile, the complex contains a robust bridging dppm ligand that holds the binuclear integrity during the reaction. A double MeI oxidative addition was observed, as shown by spectrophotometry and confirmed by a low-temperature 31P NMR study. The classical SN2 mechanism was suggested for both steps, and the involved intermediates were suggested. Consistent with the proposed mechanism, the rates of the reactions at different temperatures were slower in benzene than in acetone and large negative DeltaS? values were found in each step. However, some abnormalities were observed in the related rate constants and DeltaS? values, which were demonstrated to be due to the associative involvement of the polar acetone molecules in the reactions. The rates are almost 6 times slower in the second step as compared to the first step because of the electronic effects transmitted through the ligands and the steric effects.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N208 – PubChem

763111-47-3, An article , which mentions 763111-47-3, molecular formula is C20H19FN4O2. The compound – 4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one played an important role in people’s production and life.

Design, synthesis and biological evaluation of novel phthalazinone acridine derivatives as dual PARP and Topo inhibitors for potential anticancer agents

In this study, we designed and synthesized a series of phthalazinone acridine derivatives as dual PARP and Topo inhibitors. MTT assays indicated that most of the compounds significantly inhibited multiple cancer cells proliferation. In addition, all the compounds displayed Topo II inhibition activity at 10 mol/L, and also possessed good PARP-1 inhibitory activities. Subsequent mechanistic studies showed that compound 9a induced remarkable apoptosis and caused prominent S cell cycle arrest in HCT116 cells. Our study suggested that 9a inhibiting Topo and PARP concurrently can be a potential lead compound for cancer therapy.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N819 – PubChem

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 253-52-1, Name is Phthalazine. In a document type is Article, introducing its new discovery., 253-52-1

Electron-Hole Correlation as Unambiguous and Universal Classification for the Nature of Low-Lying pipi? States of Nitrogen Heterocycles

The 1La and 1Lb classification of electronically excited states of cata-condensed hydrocarbons proposed by Platt in 1949 (Platt, J. R. J. Chem. Phys. 1949, 17, 484) is challenged by investigating a series of N-heteronaphthalenes and comparison of their low-lying pipi? excited states to those of naphthalene. The breakdown of Platt’s classification scheme for N-heterocycles is highlighted, and a reliable and versatile alternative using exciton analyses is presented. The strength of electron-hole correlation turns out to be the most reliable distinguishing feature, and thus, an alternative nomenclature of 1Lw (weakly correlated) and 1Ls (strongly correlated) is proposed. Furthermore, fundamental guidelines for their property modulation through N-atom substitution patterns are discussed.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N186 – PubChem

Because a catalyst decreases the height of the energy barrier, 253-52-1, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.253-52-1, Name is Phthalazine, molecular formula is C8H6N2. In a article£¬once mentioned of 253-52-1

Models of the Cytochromes b. 5. EPR Studies of Low-Spin Iron(III) Tetraphenylporphyrins

The EPR spectra of a wide range of tetraphenylporphyrin complexes of Fe(III) have been investigated as a function of solvent, ligand type, ligand basicity, porphyrin substituents, covalent attachment of axial ligands, and mixed axial ligand coordination.The results show the following: (1) EPR parameters of low-spin bis-axial ligand complexes of Fe(III) porphyrins depend not only on ligand basicity but also on ligand type.Of the three major classes studied, bis(imidazole) and -(aminopyridine) complexes all have similar values of gx, gy, and gz which are nearly independent of ligand basicity, while bis(pyrazole) (and bis(indazole)) complexes have gx, gy, and gz values which tend to converge as ligand basicity increases. (2) The effect of the electron-donating or -withdrawing nature of phenyl substituents on the EPR parameters of a large series of phenyl-substituted (TPP)Fe(N-MeIm)2+ derivatives is very small: The rhombicity V/Delta=0.64+/-0.01 for all complexes, while the tetragonality Delta/lambda ranges from 2.97 for electron-donating substituents to 3.33 for electron-withdrawing substituents, the opposite trend from that expected for increasing axial ligand donor strength.No difference was observed in the EPR parameters of unsymmetrically as compared to symmetrically substituted TPP derivatives. (3) Covalent attachment of axial ligands or steric crowding of externally supplied axial ligands in the hope of seeing variation in the EPR parameters with relative axial ligand plane orientation (parallel vs. perpendicular) was not successful in producing pure isomers, and thus no effects on EPR parameters with axial ligand plane orientation were detected. (4) A covalently attached (N-alkylimidazole-TPP)Fe(III) derivative was utilized to allow formation of mixed-ligand low-spin Fe(III) complexes.The alkylimidazole-imidazolate ligand combination was only very slightly more tetragonal than its protonated imidazole counterpart, while the alkylimidazole-pyrazole, 3-aminopyrazole, 1,2,4-triazole, and 2-methylimidazole mixed ligand complexes all had EPR parameters uniquely different from those of the parent bis-ligand complexes.Discussion of these results in light of the g values of membrane-bound cytochromes b, c, and a3 bound to cyanide is also included.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N464 – PubChem

253-52-1, 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.253-52-1, Name is Phthalazine, molecular formula is C8H6N2, introducing its new discovery.

A combination of in silico and SAR studies to identify binding hot spots of Bcl-xL inhibitors

Inhibition of Bcl-2 family protein-protein interactions (PPI) is a very promising direction in cancer chemotherapy. Hence over the last decade, many medicinal chemistry studies endeavoured to discover drug candidates, and a wealth of chemical scaffolds with striking chemical diversity was reported as Bcl-xL inhibitors. This raises the question of whether all these molecules could occupy a unique binding site, or rather discrete pockets of the protein surface. To test if small and chemically diverse Bcl-xL inhibitors are likely to bind a single pocket, and to identify which pocket, we used a battery of computational and modeling approaches. We first checked that the large dataset of Bcl-xL inhibitors we built can actually fit to a universal pharmacophore. Then we defined the probable binding hot spots of interaction through comparison of crystal structures, as well as virtual fragment screening. Finally, new analogues of small polyphenol derivatives were synthesized to precisely probe a hydrogen bond suggested by docking experiments. Bcl-xL inhibition potency of these products confirmed the predicted binding mode. This combination of X-ray structure exploration, molecular modeling studies and medicinal chemistry supports that all these small Bcl-xL inhibitors occupy the same hot spot of interaction. The identification of this binding site should help the design and optimization of small PPI Bcl-xL inhibitors.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N252 – PubChem

253-52-1, In an article, published in an article,authors is Campagna, Francesco, once mentioned the application of 253-52-1, Name is Phthalazine,molecular formula is C8H6N2, is a conventional compound. this article was the specific content is as follows.

SYNTHESIS OF NEW HETEROCYCLIC RING SYSTEMS: INDENO<2,1-b>BENZOINDOLIZINE AND INDENO<1',2':5,4>PYRROLO<2,1-a>PHTHALAZINE

Some derivatives of the title heterocycles have been prepared by a “one step” synthesis from 2-hydroxy-2-acylmethylene-1,3-indandiones, tosyl chloride and isoquinoline or phthalazine.The synthesis of new indeno<2,1-b>indolizine derivatives performed by using pyridine as base is also reported.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N96 – PubChem

Because a catalyst decreases the height of the energy barrier, 253-52-1, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.253-52-1, Name is Phthalazine, molecular formula is C8H6N2. In a article£¬once mentioned of 253-52-1

Phase transfer catalyzed reductive acylation of nitrogen-containing heteroaromatics with acetylcobalt tetracarbonyl

Phase transfer catalyzed reductive ring-cleavage acylation of isoxazoles or isothiazoles with acetylcobalt tetracarbonyl gives N-acylated 1-amino-2-alkene-3-ones or thiones.Under the same conditions phthalazine, quinoline and isoquinoline react with acetylcobalt tetracarbonyl to give N-acylated dimers.The reactivity of several other nitrogen-containing heterocycles was also investigated.

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Phthalazine – Wikipedia,
Phthalazine | C8H6N473 – PubChem

An article , which mentions 72702-95-5, molecular formula is C17H12BrFN2O3. The compound – 2-(3-(4-Bromo-2-fluorobenzyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid played an important role in people’s production and life., 72702-95-5

Anti-diabetic drugs recent approaches and advancements

Diabetes is one of the major diseases worldwide and is the third leading cause of death in the United States. Anti-diabetic drugs are used in the treatment of diabetes mellitus to control glucose levels in the blood. Most of the drugs are administered orally, except for a few of them, such as insulin, exenatide, and pramlintide. In this review, we are going to discuss seven major types of anti-diabetic drugs: Peroxisome proliferator-activated receptor (PPAR) agonist, protein tyrosine phosphatase 1B (PTP1B) inhibitors, aldose reductase inhibitors, alpha-glucosidase inhibitors, dipeptidyl peptidase IV (DPP-4) inhibitors, G protein-coupled receptor (GPCR) agonists and sodium-glucose co-transporter (SGLT) inhibitors. Here, we are also discussing some of the recently reported anti-diabetic agents with its multi-target pharmacological actions. This review summarises recent approaches and advancement in anti-diabetes treatment concerning characteristics, structure?activity relationships, functional mechanisms, expression regulation, and applications in medicine.

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Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N857 – PubChem