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Synthesis, characterization and antibacterial activity of 3-(2-(Heterocyclo-2-ylthio)-ethoxy)benzo[d]isothiazoles(1)

Seven novel 3-(2-(heterocyclo-2-ylthio)ethoxy)benzo[d]isothiazoles (3a?3g) have been synthesized and characterized by ESI-MS and 1H and 13C NMR spectra. The crystal structures of 3a and 3g have been determined. Compound 3a (C11H11N5O1S2) belongs to the monoclinic system and 3g (C12H11N3OS3) to the triclinic system. The title compounds show excellent in vitroantibacterial activities, with the minimum inhibitory concentrations varying from 4 to 32 ug/mL.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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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 is helpful to your research. Electric Literature of 288-16-4

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Pollutants released from the pulp paper industry: Aquatic toxicity and their health hazards

The pulp paper industries release wastewater containing very complex organic and inorganic pollutants. These pollutants are discharged mainly pulping and bleaching process during paper manufacturing. The main gaseous pollutants hydrogen sulfides, sodium sulfide, methyl mercaptan, sulfur, and chlorine dioxide is reported for chronic, respiratory disorder and irritation to skin, eyes and cardiac problem along with nausea and headache. The major inorganic pollutants include ferrous, copper, zinc, nickel, and magnesium, which is reported for neurotoxicity, toxic to juvenile channel catfish (Ictalurus punctatus) and Accumulation to gill > liver > ovary > muscle. The detected major organic and inorganic pollutants are hexadecanoic acids, octacosane, beta-sitosterol trimethylsilyl ether, 1-tetradecane, 2-methoxy phenol, trichlorocatechol, tetrachlorocatechol, chlorophenols, chloroguaiacols, chlorosyringols, chlorocatechols, terpenes, methanol, phenol, alkylated phenols, decalone, benzoic acid, abietic acid, and dehydroabietic acid. Several of these compounds are reported as endocrine-disrupting chemicals (EDCs). Therefore, direct toxicity of effluent to the reproductive system in aquatic flora and fauna are reported. Several reports have highlighted reduced gonad size, change in secondary sexual character, delayed maturity and suppression of sex hormone in fish rainbow trout (Oncorhynchus mykiss) and mosquitofish (Gambusia holbrooki) further the in-vitro studies of organic compounds on fish, Salmonella typhimurium, Vibrio fischeri, and Saccharomyces have shown inhibition in growth and luminescence properties. The presence of organic and inorganic pollutants in pulp paper industry wastewater causes phytotoxicity chromosomal aberration in Allium cepa. Thus the manuscript has concluded that detected pollutants produced foul odors and cause hermaphroditism in fish, hepatotoxicity and mutagenic effect. In addition, the growth of coliform bacteria in River and other aquatic resources has been reported due to contamination of PPI effluent. The studies also highlighted the presence of tannins, chlorophenols, dioxins, furans, biocide, fatty acids, and resin acids along with chlorolignine compounds as persistent organic pollutants (POP), which needs special attention for pollution prevention of rivers, lakes and other aquatic resources.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Synthesis and biological activity of novel comenic acid derivatives containing isoxazole and isothiazole moieties

Methyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate was synthesized by esterification of methanol with comenic acid under acidic catalysis. The obtained ester was alkylated with 3-(chloromethyl)-5-phenylisoxazole and 4,5-dichloro-3-(chloromethyl)isothiazole to afford corresponding conjugates containing isoxazole and isothiazole moieties which then were transformed into water-soluble Li-salts. During the bioassays of synthesized isoxazole and isothiazole derivatives of comenic acid in mixtures with first-line antitumor drug Temobel (Temozolomid) used in brain tumors chemotherapy, a synergetic effect was observed.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Thiazole and Isothiazole Ring?Containing Compounds in?Crop Protection

Organic compounds containing five-membered aromatic heterocyclic rings play an important role in life science. Among them thiazole and isothiazole heterocycles are present in many pharmaceutical drugs and crop protection compounds and have sparked over past years an enormous interest on these scaffolds. In agrochemicals these moieties are found in 11 commercial products as well as in two development compounds. A thiazole moiety is present in seven currently marketed agrochemicals, namely the insecticides thiamethoxam and clothianidin, the fungicides thiabendazole, thifluzamide, ethaboxam, and oxathiapiprolin, and the nematicide fluensulfone, as well as in the development compound dicloromezotiaz. One compound, the fungicide isotianil, contains an isothiazole ring and three compounds a benzothiazole ring, namely the fungicide benthiavalicarb and the herbicides methabenzthiazuron and mefenacet. A benzisothiazole ring is not yet present in any commercial product, however, is found in the former nematicide development compound benclothiaz. Interestingly thiazole and isothiazole heterocycles are much less frequently found in agrochemicals than pyridine and pyrazole despite their bioisosteric relationship, which may indicate that these heterocycles have still not been explored to their full scope in crop protection lead discovery and optimization. Detailed information on the discovery, synthesis, and the structure?activity relationships of thiazole- and isothiazole-containing agrochemicals is provided in this review.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Aldehyde oxidase and its role as a drug metabolizing enzyme

Aldehyde oxidase (AO) is a cytosolic enzyme that belongs to the family of structurally related molybdoflavoproteins like xanthine oxidase (XO). The enzyme is characterized by broad substrate specificity and marked species differences. It catalyzes the oxidation of aromatic and aliphatic aldehydes and various heteroaromatic rings as well as reduction of several functional groups. The references to AO and its role in metabolism date back to the 1950s, but the importance of this enzyme in the metabolism of drugs has emerged in the past fifteen years. Several reviews on the role of AO in drug metabolism have been published in the past decade indicative of the growing interest in the enzyme and its influence in drug metabolism. Here, we present a comprehensive monograph of AO as a drug metabolizing enzyme with emphasis on marketed drugs as well as other xenobiotics, as substrates and inhibitors. Although the number of drugs that are primarily metabolized by AO are few, the impact of AO on drug development has been extensive. We also discuss the effect of AO on the systemic exposure and clearance these clinical candidates. The review provides a comprehensive analysis of drug discovery compounds involving AO with the focus on developmental candidates that were reported in the past five years with regards to pharmacokinetics and toxicity. While there is only one known report of AO-mediated clinically relevant drug-drug interaction (DDI), a detailed description of inhibitors and inducers of AO known to date has been presented here and the potential risks associated with DDI. The increasing recognition of the importance of AO has led to significant progress in predicting the site of AO-mediated metabolism using computational methods. Additionally, marked species difference in expression of AO makes it is difficult to predict human clearance with high confidence. The progress made towards developing in vivo, in vitro and in silico approaches for predicting AO metabolism and estimating human clearance of compounds that are metabolized by AO have also been discussed.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Recent advances in computing heteroatom-rich five- and six-membered ring systems

Recent developments in computer technology and the increasing efficiency and accuracy of current ab initio and density functional programs allow the investigation of increasingly complex systems. Molecules that could be treated only at the semiempirical level ten years ago can now be computed at the density functional or the MP2 level with basis sets of double-zeta quality. Very often, these calculations are accurate enough to explain experimental findings, and consequently many experimental studies are augmented by quantum chemical calculations. However, in many cases just a few kilocalories per mole may decide between different reaction mechanisms, different explanations of physical effects, or even a preferred tautomer or conformer. Since the inherent errors of MP2 and DFT calculations are still significantly larger than chemical accuracy, high-level calculations are mandatory for many problems. This holds particularly true for the investigation of reaction barriers involving bond-breaking processes. Although these problems have been recognized by many investigators, a substantial number of papers lack sufficient accuracy. This accuracy problem appears to be more severe for heteroatom-rich species than for other systems, in particular for systems with adjacent heteroatoms. However, DFT calculations were found to cope surprisingly well with the geometric parameters of most of these systems. As is common in heterocyclic chemistry, many studies concern tautomeric equilibria. While quantum chemical calculations are straightforward for the question of the most stable isomer, experiments are sometimes very demanding. Therefore, quantum chemistry can easily provide answers that may require substantial experimental effort. Comparatively few studies concern the investigation of entire reaction paths. This is much more demanding than computing a limited number of tautomers, of course, but usually provides a very detailed picture of the reaction mechanism. In certain cases, it was only possible to judge the nature of a chemical reaction on the basis of quantum chemical calculations. Most studies concerning pyrimidines originate from biochemical questions. Since these systems are dominated by hydrogen-bonding and/or dispersion contributions, methods beyond the Hartree-Fock level are mandatory. The success of quantum chemical studies in this field is impressive and many effects could be explained on the basis of these theoretical investigations.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Synthesis, characterisation and application of disperse dyes derived from N-2-hydroxyethyl-l-naphthylamine

The synthesis and characterisation of a series of disperse dyes obtained by diazotisation of heterocyclic arylamines and coupling of these compounds with N-2-hydroxyethyl-1-naphthylamine are reported. The dyes were applied to cellulose acetate and their dyeing and fastness properties were assessed and summarised. The absorption spectra of the dyes are discussed, with regard to structure and substitution of the heterocyclic diazo component.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Aerogel from chemo-enzymatically oxidized fenugreek gum: an innovative delivery system of isothiazolinones biocides

Aerogels of chemo-enzymatically oxidized, lyophilized fenugreek gum (EOLFG) were evaluated as ?delivery system? (DS) of the microbiocide mix 5-chloro-2-methyl-4-isothiazolin-3-one (CIT) and 2-methyl-4-isothiazolin-3-one (MIT). These biocides have a broad activity spectrum and a low MIC (minimal inhibitory concentration) in the ppm range. They are approved under the EU Biocidal Product Directive for various applications, including cosmetics, are classified as skin sensitizers, and are under increasing scrutiny to limit or eliminate their use. We demonstrate that CIT/MIT can be uptaken into EOLFG aerogel corks by immersion into aqueous solutions of microbiocides, followed by blotting and re-lyophilization to generate ?loaded? EOLFG aerogels. Incubation of ?loaded? corks in water brings about a slow and almost complete release of the absorbed actives having the same MIC of free biocides against selected bacterial pathogens. This new biomaterial could represent an innovative DS of microbiocides and other actives for a variety of industrial, food, cosmetic, and biomedical applications.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.SDS of cas: 288-16-4, Name is Isothiazole, molecular formula is C3H3NS, SDS of cas: 288-16-4. In a Article, authors is Iddon, Brian£¬once mentioned of SDS of cas: 288-16-4

Cycloaddttion, ring-opening, and other novel reactions of thiophenes

Synthetically useful reactions of thiophenes arid benzolb]thiophenes are reviewed in which the aromatzcity of the thiophene ring is lost either permanently or temporarilyj i.e. so-called “non-benzenoid” reactions. These include cyclcaddition reactions with arynes, hetarynes, carbenes, nitrsnes, olefins, acetylenes, ketones, and other substrates and various ring-opening reactions, e.g. of organometallic derivatives and 2-Aminothiophenes. Also reviewed are C-2 protonation and reactions of thiophenes at the sulprtur atom, e.g. alkylation. Brief reference is made to thiophene I, l-dioxideu and attention is drawn to other littie-used reactions of thiophenes of potential synthetic usefulness, e.g. inverted reactivity of thienyl-lithium compounds.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Acid catalyzed nitrile thiolysis of 3-amino-acrylonitriles, toward the synthesis of 3,4-substituted-5-amino-isothiazoles

Application of an acid-catalyzed thioamidation of beta-amino-acrylonitriles to the corresponding beta-amino-thioacrylamides toward the synthesis of 3,4-substituted-5-amino-isothiazoles is described. The greatest yields were observed for examples with electron rich aromatic systems. This method uses inexpensive and easily handled reagents.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com