Category: 1504-58-1

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O, belongs to isothiazole compound. In a document, author is Hegelund, F, introduce the new discover, Recommanded Product: 3-Phenylprop-2-yn-1-ol.

The gas-phase high-resolution infrared spectrum of isothiazole in the range 600-1500 cm(-1) has been recorded, and revised band centres obtained for a number of vibrations. An analysis of the nu(11)(A’) band at 818 cm(-1) and the nu(16)(A) band at 727cm(-1) has been performed, using the Watson Hamiltonian, A-reduction, IIIr representation. These were combined with previous microwave spectral data to provide combined analyses for rotational constants and quartic centrifugal distortion constants Delta(J), Delta(JK), Delta(K), delta(J) and delta(K). These extend the knowledge derived from previous microwave and IR spectral studies. The equilibrium structures and the derived harmonic frequencies were calculated by ab initio methods, using a variety of basis sets with MP2, MP4 and CCSD(T) methods, and a comparison of these with experimental data is discussed. At a pragmatic level, the closest correlation of the rotational constants with experiment is not obtained with the most sophisticated methodology. Similarly, the vibration frequencies and intensities also vary strongly with the procedure. In particular, we found that the cc-pVTZ + MP2 results probably provide the best numerical comparison with experimental IR data for this molecule.

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 1504-58-1. Recommanded Product: 3-Phenylprop-2-yn-1-ol.

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

 

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, Product Details of 1504-58-1, 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, SMILES is OCC#CC1=CC=CC=C1, belongs to isothiazole compound. In a document, author is Vicini, P, introduce the new discover.

Synthesis and biological evaluation of benzo[d]isothiazole, benzothiazole and thiazole Schiff bases

Three new series of benzo[d]isothiazole, benzothiazole and thiazole Schiff bases were synthesized and tested in vitro with the aim of identifying novel lead compounds active against emergent and re-emergent human and cattle infectious diseases (AIDS, hepatitis B and C, tuberculosis. bovine viral diarrhoea) or against drug-resistant cancers (leukaemia, carcinoma, melanoma, MDR tumors) for which no definitive cure or efficacious vaccine is available at present. In particular, these compounds were evaluated in vitro against representatives of different virus classes, such as a HIV-1 (Retrovirus), a HBV (Hepadnavirus) and the single-stranded RNA(+) viruses Yellow fever virus (YFV) and Bovine viral diarrhoea virus (BVDV), both belonging to Flaviviridae. Title compounds were also tested against representatives of Gram-positive and Gram-negative bacteria (Staphylococcus aureus, Salmonella spp.), various atypic mycobacterial strains Mycobacterium fortuitom and Mycobacterium smegmatis), yeast (Candida albicans) and mould (Aspergillus fumigatus). None of the compounds showed antiviral or antimicrobial activity. The benzo[ci]isothiazole compounds showed a marked Cytotoxicity (CC50 = 4-9 muM) against the human CD4(+) lymphocytes (MT-4) that were used to support HIV-1 growth. For this reason, the most cytotoxic compounds of this series were evaluated for their antiproliferative activity against a panel of human cell lines derived from haematological and solid tumors. The results highlighted that all the benzo[d]isothiazole derivatives inhibited the growth of leukaemia cell lines, whereas only one of the above mentioned compounds (1e) showed antiproliferative activity against two solid tumor-derived cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

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 1504-58-1 is helpful to your research. Product Details of 1504-58-1.

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

 

1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O, belongs to isothiazole compound, is a common compound. In a patnet, author is Cividino, Pascale, once mentioned the new application about 1504-58-1, Product Details of 1504-58-1.

Accessing Enantiopure Endocyclic Sulfoximines Through Catalytic Cycloisomerization of Oxygenated Propargyl-Sulfinamides

In this study, a novel strategy to access endocyclic sulfoximines in an enantiopure form is reported. The approach is based on a silver nitratecatalyzed cyclo-isomerization reaction of oxygenated propargylic sulfinamides and provides efficiently 5-membered endocyclic sulfoximines (isothiazole 1-oxide). These new heterocyclic scaffolds can be isolated or directly converted into cyclic sulfinamides via Lewis acid-mediated sulfur dealkylation reactions.

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

 

In an article, author is Yan, Shunqi, once mentioned the application of 1504-58-1, Recommanded Product: 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O, molecular weight is 132.16, MDL number is MFCD00040914, category is isothiazole. Now introduce a scientific discovery about this category.

Isothiazoles as active-site inhibitors of HCVNS5B polymerase

Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polyrnerase. The best compound has an IC50 of 200 nM and EC50 of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of I with HCV NS5B was obtained at a resolution of 2.2 angstrom, revealing that the inhibitor is covalently linked with Cys 366 of the ‘primer-grip’. Furthermore, it makes considerable contacts with the C-terminus, P-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase. (c) 2006 Elsevier Ltd. All rights reserved.

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

 

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, formurla is C9H8O. In a document, author is Lippa, B, introducing its new discovery. HPLC of Formula: C9H8O.

Discovery of novel isothiazole inhibitors of the TrkA kinase: Structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists

The design, synthesis, and biological evaluation of potent inhibitors of the TrkA kinase is presented. A homology model is created to aid in the enhancement of potency and selectivity of isothiazole inhibitors found during a high-throughput screen. Three different syntheses are utilized to make diverse analogs within this series. Aminoheterocycles are found to be good urea surrogates, whereas bicyclic substituents on the C3 thio group were found to be extremely potent TrkA inhibitors in kinase and cell assays. (c) 2006 Elsevier Ltd. All rights reserved.

If you are hungry for even more, make sure to check my other article about 1504-58-1, HPLC of Formula: C9H8O.

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

 

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. 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O. In an article, author is de Vicente, Javier,once mentioned of 1504-58-1, Product Details of 1504-58-1.

Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: Structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides

A series of benzo[d]isothiazole-1,1-dioxides were designed and evaluated as inhibitors of HCV polymerase NS5B. Structure-based design led to the incorporation of a high affinity methyl sulfonamide group. Structure-activity relationship (SAR) studies of this series revealed analogues with submicromolar potencies in the HCV replicon assay and moderate pharmacokinetic properties. SAR studies combined with structure based drug design focused on the sulfonamide region led to a novel and potent cyclic analogue. (C) 2009 Elsevier Ltd. All rights reserved.

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

 

Chemistry, like all the natural sciences, Formula: C9H8O, begins with the direct observation of nature¡ª in this case, of matter.1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, SMILES is OCC#CC1=CC=CC=C1, belongs to isothiazole compound. In a document, author is Moon, Sanghun, introduce the new discover.

Synthesis of Isothiazoles and Isoselenazoles through Rhodium-Catalyzed Oxidative Annulation with Elemental Sulfur and Selenium

A rhodium-catalyzed oxidative annulation of benzimidates with elemental sulfur for the direct construction of isothiazole rings is reported. The proposed reaction mechanism involving Rh(I)/Rh(III) redox is supported by a stoichiometric reaction of metallacycle species as well as DFT calculations. This method is also applicable to selenium cyclization to produce isoselenazole derivatives. The alkoxy substituent at C3 can be used for further functionalization of the azole core.

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 1504-58-1. Formula: C9H8O.

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

 

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 1504-58-1, Name is 3-Phenylprop-2-yn-1-ol, molecular formula is C9H8O, belongs to isothiazole compound. In a document, author is Hegelund, F, introduce the new discover, Category: isothiazole.

The infrared spectrum of isothiazole in the range 600-1500 cm(-1), including a high-resolution study of the v(11)(A ‘) band at 818cm(-1) and the v(16)(A ”) band at 727cm(-1), together with ab initio studies of the full spectrum

The gas-phase high-resolution infrared spectrum of isothiazole in the range 600-1500 cm(-1) has been recorded, and revised band centres obtained for a number of vibrations. An analysis of the nu(11)(A’) band at 818 cm(-1) and the nu(16)(A) band at 727cm(-1) has been performed, using the Watson Hamiltonian, A-reduction, IIIr representation. These were combined with previous microwave spectral data to provide combined analyses for rotational constants and quartic centrifugal distortion constants Delta(J), Delta(JK), Delta(K), delta(J) and delta(K). These extend the knowledge derived from previous microwave and IR spectral studies. The equilibrium structures and the derived harmonic frequencies were calculated by ab initio methods, using a variety of basis sets with MP2, MP4 and CCSD(T) methods, and a comparison of these with experimental data is discussed. At a pragmatic level, the closest correlation of the rotational constants with experiment is not obtained with the most sophisticated methodology. Similarly, the vibration frequencies and intensities also vary strongly with the procedure. In particular, we found that the cc-pVTZ + MP2 results probably provide the best numerical comparison with experimental IR data for this molecule.

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 1504-58-1. Category: isothiazole.

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