Category: 121-89-1

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Recommanded Product: 3′-Nitroacetophenone, 121-89-1, Name is 3′-Nitroacetophenone, SMILES is CC(C1=CC=CC([N+]([O-])=O)=C1)=O, in an article , author is ALBEROLA, A, once mentioned of 121-89-1.

COMPARATIVE REACTIVITY OF 3-METHYL-5-PHENYLISOXAZOLE AND 3-METHYL-5-PHENYLISOTHIAZOLE AGAINST ELECTROPHILIC COMPOUNDS

A comparative study of reactions of 3-methyl-5-phenylisoxazole and 3-methyl-5-phenylisothiazole with electrophilic compounds in the presence of n-BuLi, LICA or LICA-TMEDA is reported. By using LICA-TMEDA, regioselective reactions of the heterocyclic compounds at the C-3 methyl group are obtained. With n-BuLi or LICA and the isoxazole derivative a product mixture at the C-4 position and the C-3 methyl group is found. In the case of isothiazole compound, only with methyl iodide and n-BuLi, the dialkylated product at both positions is formed.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Let¡¯s face it, organic chemistry can seem difficult to learn, Recommanded Product: 3′-Nitroacetophenone, Especially from a beginner¡¯s point of view. Like 121-89-1, Name is 3′-Nitroacetophenone, molecular formula is isothiazole, belongs to isothiazole compound. In a document, author is Gruschinski, Sina, introducing its new discovery.

Palladium-mediated Cleavage of S-C Bonds: Preparation and Characterization of Palladium(II) Complexes of 2, 6-Diformyl-4-tert-butylthiophenol Dioxime

The synthesis of air-sensitive 2, 6-diformyl-4-tert-butylthiophenol dioxime H3L3 was achieved by a Pd-mediated SC cleavage of the corresponding S-tert-butyl protected thioether. The novel ligand forms a dinuclear, neutral PdII2 complex, which is stabilized by two N…HO hydrogen bonds to give a pseudo-macrocyclic structure. The crystal structure of a PdII complex of an oxidized isothiazole derivative of H3L3 is also reported.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Reference of 121-89-1, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 121-89-1, Name is 3′-Nitroacetophenone, SMILES is CC(C1=CC=CC([N+]([O-])=O)=C1)=O, belongs to isothiazole compound. In a article, author is Teffera, Yohannes, introduce new discover of the category.

Bioactivation of Isothiazoles: Minimizing the Risk of Potential Toxicity in Drug Discovery

Compound 1, (7-methoxy-N-((6-(3-methylisothiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine) is a potent, selective inhibitor of c-Met (mesenchymal-epithelial transition factor), a receptor tyrosine kinase that is often deregulated in cancer. Compound 1 displayed desirable pharmacolcinetic properties in multiple preclinical species. Glutathione trapping studies in liver microsomes resulted in the NADPH-dependent formation of a glutathione conjugate. Compound 1 also exhibited very high in vitro NADPH-dependent covalent binding to microsomal proteins. Species differences in covalent binding were observed, with the highest binding in rats, mice, and monkeys (1100-1300 pmol/mg/h), followed by dogs (400 pmol/mg/h) and humans (144 pmol/mg/h). This covalent binding to protein was abolished by coincubation with glutathione. Together, these in vitro data suggest that covalent binding and glutathione conjugation proceed via bioactivation to a chemically reactive intermediate. The cytochrome (CYP) P450 enzymes responsible for this bioactivation were identified as cytochrome P450 3A4, 1A2, and 2D6 in human and cytochrome P450 2A2, 3A1, and 3A2 in rats. The glutathione metabolite was detected in the bile of rats and mice, thus demonstrating bioactivation occurring in vivo. Efforts to elucidate the structure of the glutathione adduct led to the isolation and characterization of the metabolite by NMR and mass spectrometry. The analytical data confirmed conclusively that the glutathione conjugation was on the 4-C position of the isothiazole ring. Such P450-mediated bioactivation of an isothiazole or thiazole group has not been previously reported. We propose a mechanism of bioactivation via sulfur oxidation followed by glutathione attack at the 4-position with subsequent loss of water resulting in the formation of the glutathione conjugate. Efforts to reduce bioactivation without compromising potency and pharmacokinetics were undertaken in order to minimize the potential risk of toxicity. Because of the exemplary pharmacokinetic/pharmacodynamic (PK/PD) properties of the isothiazole group, initial attempts were focused on introducing alternative metabolic soft spots into the molecule. These efforts resulted in the discovery of 7-(2-methoxyethoxy)-N-((6-(3-methyl-5-isothiazolyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine (compound 2), with the major metabolic transformation occurring on the naphthyridine ring alkoxy substituent. However, a glutathione conjugate of compound 2 was produced in vitro and in vivo in a manner similar to that observed for compound 1. Furthermore, the covalent binding was high across species (360, 300, 529, 208, and 98 pmol/mg/h in rats, mice, dogs, monkeys, and humans, respectively), but coincubation with glutathione reduced the extent of covalent binding. The second viable alternative in reducing bioactivation involved replacing the isothiazole ring with bioisosteric heterocycles. Replacement of the isothiazole ring with an isoxazole or a pyrazole reduced the bioactivation while retaining the desirable PK/PD characteristics of compounds 1 and 2.

Reference of 121-89-1, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 121-89-1 is helpful to your research.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

121-89-1, Name is 3′-Nitroacetophenone, molecular formula is C8H7NO3, belongs to isothiazole compound, is a common compound. In a patnet, author is BAGGI, P, once mentioned the new application about 121-89-1, Category: isothiazole.

ISOTHIAZOLES .4. CYCLOADDITION REACTIONS OF DIARYL-OXAZOLONES AND MUNCHNONES TO 3-DIETHYLAMINO-4-(4-METHOXYPHENYL)-ISOTHIAZOLE 1,1-DIOXIDE – A NEW SYNTHESIS OF TRIARYLPYRROLES

3-Diethylamino-4-(4-methoxyphenyl)-isothiazole 1,1-dioxide(3) readily reacts with oxazolones 2 and munchnones 7 affording with satisfactory yield 3-diethylamino-4,6-diaryl-3a,4-dihydro-3a-(4-methoxyphenyl)6aH-pyrrolo[3,4-d]isthiazole 1,1-dioxides 4 and 3-diethylamino-4,6-diaryl-5-alkyl-3a-(4-methoxyphenyl)-pyrrolo[3,4]isothiazole l,1-dioxides 8, respectively. The behaviour of the cycloadducts towards elevated temperatures and/or basic conditions was investigated. Under these conditions the primary products lost SO2 and diethylcyanamide affording 1-alkyl-2,3,5-triarylpyrroles 9 and 1H-2,3,5-triarylpyrroles 10. These latter were found to be better obtained through thermal decomposition of N-protected cycloadducts 8 and subsequent deprotecting the final pyrroles.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Safety of 3′-Nitroacetophenone, 121-89-1, Name is 3′-Nitroacetophenone, SMILES is CC(C1=CC=CC([N+]([O-])=O)=C1)=O, in an article , author is Aitken, Kati M., once mentioned of 121-89-1.

Synthetic approaches to 1,3,4-oxadiazole have been investigated and an improved method involving dehydration of N,N’-diformylhydrazine with P2O5 in polyphosphoric acid is described. The C-13 NMR spectrum of this compound is reported for the first time including determination of (1)J(C-H) and (3)J(C-H).

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

In an article, author is SWAYZE, EE, once mentioned the application of 121-89-1, Product Details of 121-89-1, Name is 3′-Nitroacetophenone, molecular formula is C8H7NO3, molecular weight is 165.1461, MDL number is MFCD00007259, category is isothiazole. Now introduce a scientific discovery about this category.

THE SYNTHESIS OF SEVERAL IMIDAZO[4,5-D]ISOTHIAZOLES – DERIVATIVES OF A NEW RING-SYSTEM

Several derivatives of the new imidazo[4,5-d]isothiazole ring system have been synthesized from the appropriately substituted isothiazolediamines. The reaction of 3-methyl-4,5-diaminoisothiazole (4a) with diethoxy-methyl acetate gave a low yield of 3-methylimidazo[4,5-d]isothiazole (5a). However, the analogous reaction of 4,5-diaminoisothiazole (4b) with diethoxymethyl acetate failed to yield the parent imidazo[4,5-d]isothiazole ring system. The diamines 4a and 4b were readily cyclized with thiocarbonyldiimidazole to give the unstable thiones 6a and 6b, which were alkylated in situ to afford good yields of the corresponding 5-methylthioimidazo[4,5-d]isothiazoles 7a and 7b, respectively. Neither of these compounds could be reduced to the corresponding 5-unsubstituted derivatives via treatment with Raney nickel. To the best of our knowledge, this is the first report of the imidazo[4,5-d]isothiazole ring system.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

 

Reference of 121-89-1, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 121-89-1, Name is 3′-Nitroacetophenone, SMILES is CC(C1=CC=CC([N+]([O-])=O)=C1)=O, belongs to isothiazole compound. In a article, author is Emamian, Saeed Reza, introduce new discover of the category.

Theoretical Study of Kinetics and Thermodynamics of Hetero Diels-Alder Reaction of Thiazole and Isothiazol with Thiophene-2,5-dione

DFT methods have been used to study the hetero Diels-Alder reaction of thiazole and isothiazole with thiophen-2,5-dione. The thermodynamic and kinetic parameters were calculated. The relative stabilities of the transition structures corresponding to the endo/exo stereoisomers have been rationalized on the basis of the secondary molecular orbital interactions. NBO analysis was carried out to calculate the synchronicity index. It was shown that all reactions are synchronous. A HOMO-LUMO energy gap shows both reactions are normal electron demand.

Reference of 121-89-1, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 121-89-1 is helpful to your research.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com