A new application about Isothiazole-3-carboxylic acid

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CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME

The present disclosure provides, in part, cyclic sulfamide compounds, and pharmaceutical compositions thereof, useful as modulators of Hepatitis B (HBV) core protein, and methods of treating Hepatitis B (HBV) infection.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Characterisation of free and glycosidically bound aroma compounds of la Mancha Verdejo white wines

The aroma of Verdejo La Mancha white wines was studied by instrumental and sensory analysis across five consecutive vintages to determine their typicity and quality. Free and glycosidically-bound aroma compounds were isolated by solid phase extraction (SPE) to later be analysed using gas chromatography-mass spectrometry (GC/MS). Seventy-four (74) free aroma compounds and thirty-six (36) bound aroma compounds were identified and quantified in La Mancha Verdejo wines oven this five year period. Based on the result, Verdejo white wines presents a complex chemical profile with a wealth of aromas in its aromatic composition. The sensory profile of Verdejo wines was evaluated by experienced wine-tasters and was characterised by fresh, citric, green apple, fruity and tropical fruit aroma descriptors. This study shows the first complete aromatic characterisation of La Mancha Verdejo white wines, also the data suggest that these wines present a great aromatic potential.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Synthesis and fungicidal activity of 3,4-dichloroisothiazole based strobilurins as potent fungicide candidates

A series of 3,4-dichloroisothiazole based novel strobilurin analogs were designed and synthesized, and their structures were elucidated by NMR and HRMS, and the typical crystal structure was determined by X-ray diffraction for validation. Results from different biological assays suggested that most target compounds displayed very good fungicidal activity against one or multiple plant pathogens in vitro and in vivo. Among them, compounds 6d, 6g and 8d showed a broad spectrum of fungicidal activity. Further field experiments indicated that compound 8d displayed better efficacy against Sphaerotheca fuliginea than commercial standards azoxystrobin and trifloxystrobin, and better efficacy against Pseudoperonospora cubensis than trifloxystrobin. Overall, a new fungicidal candidate for plant disease management was discovered in this study.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Extracurricular laboratory:new discovery of 27148-03-4

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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.Recommanded Product: Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, Name is Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, molecular formula is C7H5NO2S2, Recommanded Product: Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide. In a Article, authors is Tarulli, Susana H.£¬once mentioned of Recommanded Product: Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

Structural and Spectroscopic Characterization of Two New Thallium(I)/Thiosaccharinate Complexes

The crystal structures of [Tl(tsac)] (1) and [Tl(tsac)-(ophen)] (2) (tsac = anion of thiosaccharin; ophen = 1,10 phenanthroline) have been determined at 116 K by single crystal X-ray diffractometry. Complex 1 crystallizes in the monoclinic space group P21/a with Z = 4 and complex 2 in the monoclinic space group C2/c with Z = 8.In both complexes TI is coordinated to a thiosaccharinate anion through its sulphur and nitrogen atoms. A distorted eight fold coordination sphere around the cation in complex 1 is completed with two other longer Tl-S bonds and four Tl…O contacts with five symmetry related neighbouring thiosaccharinate anions. A phenanthroline molecule acting as a bidentate ligand through its nitrogen atoms completes a four-fold coordination around the metal atom in complex 2. The infrared spectra of both complexes were also recorded and their most important features discussed on the basis of its structural peculiarities.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Recommanded Product: Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 27148-03-4, Name is Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, molecular formula is C7H5NO2S2

A new supramolecular assembly obtained by reaction between thiosaccharin and hexamethylenediamine

The crystal structure of hexamethylenediammonium bis(thiosaccharinate) dihydrate, [H3N-(CH2)6-NH3](tsac) 2 ¡¤ 2 H2O (tsac = C7H4NO 2S2, the anion of thiosaccharin), was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P21/a with Z = 4. The thiosaccharinate moiety is planar and shows small but significant modifications in the bonding of the thioamide functional group as compared with the protonated neutral molecule. The ionic crystal is further stabilized by an extensive H-bonding network, which links the anions and cations into an infinite three-dimensional supramolecular assembly. The FTIR spectrum of the compound is briefly discussed in comparison with those of the neutral constituent molecules.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Design strategies of oxidosqualene cyclase inhibitors: Targeting the sterol biosynthetic pathway

Targeting the sterol biosynthesis pathway has been explored for the development of new bioactive compounds. Among the enzymes of this pathway, oxidosqualene cyclase (OSC) which catalyzes lanosterol cyclization from 2,3-oxidosqualene has emerged as an attractive target. In this work, we reviewed the most promising OSC inhibitors from different organisms and their potential for the development of new antiparasitic, antifungal, hypocholesterolemic and anticancer drugs. Different strategies have been adopted for the discovery of new OSC inhibitors, such as structural modifications of the natural substrate or the reaction intermediates, the use of the enzyme’s structural information to discover compounds with novel chemotypes, modifications of known inhibitors and the use of molecular modeling techniques such as docking and virtual screening to search for new inhibitors. This review brings new perspectives on structural insights of OSC from different organisms and reveals the broad structural diversity of OSC inhibitors which may help evidence lead compounds for further investigations with various therapeutic applications.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Archives for Chemistry Experiments of Benzo[d]isothiazole

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Improvement of Verdejo white wines by contact with oak chips at different winemaking stages

The effect that the addition of wood at different stages of the winemaking process has on the volatile composition and sensory characteristics of Verdejo wines has been studied. Verdejo control wine was made by the traditional winemaking process without oak chips. Oak chips (7 g/L) were added at different stages of the winemaking process: during alcoholic fermentation (OCAF) and in the young wine (OCW). Higher alcohols, ethyl acetate, hexyl acetate, isoamyl acetates and ethyl esters of straight-chain fatty acids were present at higher concentrations in wines that had contact with oak chips during alcoholic fermentation when compared to control wines. The highest concentrations of benzene compounds, oak lactones and furanic compounds were found in both wines in contact with oak chips, particularly in CW samples. Different sensorial profiles were obtained for the wines depending on the stage of the winemaking process at which the chips were added. All wines investigated in this study can provide a viable alternative to traditional Verdejo wines.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Medicinal chemistry inspired fragment-based drug discovery

Abstract Lead generation can be a very challenging phase of the drug discovery process. The two principal methods for this stage of research are blind screening and rational design. Among the rational or semirational design approaches, fragment-based drug discovery (FBDD) has emerged as a useful tool for the generation of lead structures. It is particularly powerful as a complement to high-throughput screening approaches when the latter failed to yield viable hits for further development. Engagement of medicinal chemists early in the process can accelerate the progression of FBDD efforts by incorporating drug-friendly properties in the earliest stages of the design process. Medium-chain acyl-CoA synthetase 2b and ketohexokinase are chosen as examples to illustrate the importance of close collaboration of medicinal chemists, crystallography, and modeling.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study

The title compound, (thiosaccharine disulfide), bis[1,1?dioxide-2,3- dihidro-1,2-benzoisothiazol]disulfide, (tsac)2 has been synthesized and fully characterized by UV-Visible, IR, Raman, 1H and 13C NMR spectroscopy elemental analysis and structural X-ray crystallography. A DFT theoretical study has been performed and good agreement between experimental and theoretical values of structural parameters and vibration frequencies have been achieved.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Discovery of Benzo[d]isothiazole

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Complete study of the pyrolysis and gasification of scrap tires in a pilot plant reactor

The pyrolysis and gasification of tires was investigated in a pilot plant reactor provided with a system for condensation of semivolatile matter. The study comprised experiments at 450, 750, and 1000C both in nitrogen and 10% oxygen atmospheres. In the gas phase, only methane and benzene yields increased with temperature until 1000C. In the liquids, the main components were styrene, limonene, and isoprene. The solid fraction (including soot) increased with temperature. Zinc content of the char decreased with increasing temperature. Analysis of the surface area of the solids showed that the area was similar in all cases to that of a commercial carbon black. The higher surface of the soot with respect to the chars was observed. The results coincided with published findings, i.e., kinetic severity function values would produce 0.2% of methane at 450C and 4.5% at 750-1000C.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com