Awesome Chemistry Experiments For Isothiazole

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A retrospect on antimicrobial potential of thiazole scaffold

Due to its appreciable diversity in biological actions, thiazole and its substituted components, a significant class of heterocyclic compounds has developed as an influential scaffold in the field of chemical sciences. The variability of thiazole core has been expressed through the effective instigation of its anticancer (Dasatinib, Tiazofurin), antiretroviral (Ritonavir, Brecanavir), antimicrobial (Sulfathiazole, Ravuconazole) and anti-inflammatory (Fenclozic acid, Meloxicam) derivatives. This reasonable diversity in the physiological reaction pattern led many scientists to refine and develop new structural alternatives with much more efficient pharmacological action. This review is crucial for previous studies and projects to survey the antimicrobial activity of thiazole and thiazole related compounds to the mid of 2019.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Properties and Exciting Facts About 3-Piperazinobenzisothiazole hydrochloride

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CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF

A condensed thiophene compound represented by general formula: STR1 or a pharmaceutically acceptable salt thereof, wherein ring S represents a thiophene ring; R 1 represents hydrogen, halogen, alkyl, etc.; R 2 represents hydrogen, alkyl, acyl, etc.; G represents–CH. sub.2–,–CH(OH)–,–CO–, etc.; Q represents alkylene; T represents–N(Rb)(Rc) (wherein Rb, Rc represents each alkyl etc.; or alternatively Rb and Rc are combined together to form cyclic amino); D represents–CH. sub. 2–or–S–; A and B represent each carbonyl or thiocarbonyl, or are null; and m and n represent each 0, 1 to 4, provided that m+n represents an integer of 4 or less.

This compound is useful as an antipsychotic drug having a reduced extrapyramidal side effect.

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

 

Brief introduction of 288-16-4

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One-pot, Pd/Cu-catalysed synthesis of alkynyl-substituted 3-ylidene-dihydrobenzo[d]isothiazole 1,1-dioxides

Enyne-substituted benzoisothiazole derivatives have been synthesised under one-pot, operationally simple conditions using 2-iodo-N-(trimethylsilylethynyl)benzenesulfonamides and terminal alkynes as starting materials and a palladium-copper-based catalytic system. The structure of these heterocycles has been demonstrated by NMR spectroscopy and confirmed by X-ray crystallographic analysis. A plausible reaction mechanism has been proposed.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Properties and Exciting Facts About 272-16-2

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A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility

Efficient and accurate prediction of molecular properties, such as lipophilicity and solubility, is highly desirable for rational compound design in chemical and pharmaceutical industries. To this end, we build and apply a graph-neural-network framework called self-attention-based message-passing neural network (SAMPN) to study the relationship between chemical properties and structures in an interpretable way. The main advantages of SAMPN are that it directly uses chemical graphs and breaks the black-box mold of many machine/deep learning methods. Specifically, its attention mechanism indicates the degree to which each atom of the molecule contributes to the property of interest, and these results are easily visualized. Further, SAMPN outperforms random forests and the deep learning framework MPN from Deepchem. In addition, another formulation of SAMPN (Multi-SAMPN) can simultaneously predict multiple chemical properties with higher accuracy and efficiency than other models that predict one specific chemical property. Moreover, SAMPN can generate chemically visible and interpretable results, which can help researchers discover new pharmaceuticals and materials. The source code of the SAMPN prediction pipeline is freely available at Github (https://github.com/tbwxmu/SAMPN).

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

 

Discovery of 3,4-Dichloroisothiazole-5-carboxylic acid

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Methoxy acrylate derivative containing 3, 4 – dichloro isothiazole, and preparation method and application thereof (by machine translation)

The invention provides a methoxy acrylate derivative containing 3, 4 – dichloro isothiazole and a preparation method and application, and relates to a methoxy acrylate derivative containing 3, 4 – dichloro isothiazole, wherein the chemical structure formula is shown in the formula III: The invention discloses a structural general, a synthetic method and an application of the compound as an insecticide, a bactericide, an anti-plant virus agent and application of the compound to agricultural, forestry, horticultural plant insect pests, diseases, virus diseases and a preparation method thereof together with commercial insecticides, bactericides, plant pathogens, acaricides, and the like, and a preparation method. (by machine translation)

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

 

The important role of 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide

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Reference of 111248-89-6, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.111248-89-6, Name is 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide, molecular formula is C7H7NO2S. In a Patent£¬once mentioned of 111248-89-6

2,1-benzisothiazoline 2,2-dioxides

This invention provides a progesterone receptor antagonist of formula 1 having the structure STR1wherein R 1, and R 2 are each, independently, hydrogen, alkyl, substituted alkyl, hydroxy, alkoxy, substituted alkoxy, aryl, substituted aryl, heteroaryl, substituted heteroaryl, arylalkyl, heteroarylalkyl, and alkynyl. R 1 and R 2 may be taken together to form a ring and together contain –CH 2 (CH 2) n CH 2 –, –CH 2 CH 2 CMe 2 CH 2 CH 2 –, –O(CH 2) P CH 2 –, O(CH 2) q O–, –CH 2 CH 2 OCH 2 CH 2 –, –CH 2 CH 2 NR 7 CH 2 CH 2 –. R 1 and R 2 may be taken together to form a double bond, the double bond having two methyl groups bonded to the terminal end, having a cycloalkyl group bonded to the terminal end, having an oxygen bonded to the terminal end, or having a cycloether bonded to the terminal end; or a double bond. R 3 is hydrogen, hydroxyl, NH 2, alkyl, substituted alkyl, alkenyl, alkynyl, substituted or, COR A. R 4 is hydrogen, halogen, –CN, –NH 2, alkyl, substituted alkyl, alkoxy, alkoxy, aminoalkyl, or substituted aminoalkyl; R 5 is a trisubstituted phenyl ring having the structure, STR2or is a five or six membered heteroaryl ring, containing 1, 2, or 3 heteroatoms selected from the group consisting of O, S, SO, SO 2 and NR 6, or pharmaceutically acceptable salt thereof.

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

 

Top Picks: new discover of (3aR,6S)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

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Novel application of chiral micellar media to the Diels-Alder reaction

A novel chiral surfactant has been used in the first reported aqueous chiral micellar catalysis of a Diels-Alder reaction and enantioselectivities have been observed.

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

 

Awesome and Easy Science Experiments about 87691-88-1

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PRO-DRUGS OF 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE

The present invention relates to a pro-drug of ziprasidone or pharmaceutically acceptable salts thereof, processes for its preparation, and pharmaceutical compositions and methods of treatment comprising said pro-drug.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Final Thoughts on Chemistry for Isothiazole

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Quantification of Aromaticity of Heterocyclic Systems Using Interaction Coordinates

Recently, we proposed an aromaticity index based on interaction coordinates (AIBIC) (J. Phys. Chem. A 2016, 120, 2894a’2901). This index works well for the aromatic hydrocarbons. However, in the case of heterocyclic systems, the AIBIC overestimates the aromaticity indicating many of them to be more aromatic than benzene, which seems unlikely. Because of the differences in the electronegativity of the carbon and the other heteroatoms, the electron density is partially localized near the more electronegative atom(s) of the aromatic fragment. This localized electron density does not contribute to the aromaticity that is due to the delocalized electron density over the central ring. To account for this reduction in the delocalized electron density, a correction is introduced based on Pauling’s electronegativity equation. When the corrected interaction coordinates are used in the computation of AIBIC, we get a new index-aromaticity index based on interaction coordinates corrected. This new index, when computed for a variety of heterocyclic systems, yields results in line with the expectations, and its usefulness in quantifying aromaticity appears to be very promising.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

Some scientific research about 272-16-2

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Reference of 272-16-2, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.272-16-2, Name is Benzo[d]isothiazole, molecular formula is C7H5NS. In a article£¬once mentioned of 272-16-2

Concentrations, sulfur isotopic compositions and origin of organosulfur compounds in pore waters of a highly polluted raised peatland

Sulfur cycling in peatlands plays a key role in their response to atmospheric deposition of acid sulfate; however, the role of dissolved organic sulfur species has received little attention. In this study, we assess the quantitative importance of dissolved organic sulfur species in a heavily polluted peatland and their role in sulfur cycling. Surface and pore waters from a raised peat bog have been analyzed for dissolved organic and inorganic species. Except in the surface water, organically bound sulfur dominates over sulfate sulfur and the organosulfur is predominantly in the humic fraction, which is not GC amenable. Two organosulfur compounds are present in the GC amenable fraction at all depths; a compound containing a benzene ring, sulfone and amide groups dominates while a compound closely similar to either benzothiazole or 1,2-benzisothiazole is present at 100-1000 times lower concentrations. Other organosulfur species were detected in some samples by GC-AED (gas chromatography-atomic emission detection) at similar or yet lower concentrations but not identifiable with GC-MS. In the shallowest parts of the peat, sulfur isotopic data on the humic and non-humic dissolved organic sulfur fractions show a pronounced difference, implying different sources for these organosulfur compounds. Humic organosulfur is 34S enriched, indicating a source for this component from breakdown of plant materials, which have similar delta34S (0.1? and 4.2?). By contrast, the non-humic organosulfur is more 34S depleted at shallow depths (-11.7? in surface water), indicating an origin from reaction of bacterially produced sulfide (-9.9? in surface water) with dissolved organic material. Deeper in the peat the non-humic organosulfur becomes more 34S enriched (up to +6.8?), which may result from either: (i) reactions between organic material and more 34S enriched sulfide; or (less likely) (ii) a shift to production of non-humic organosulfur by breakdown of humic compounds or plant material in the peat matrix. These data highlight the importance of organosulfur species relative to inorganic species in peatland groundwaters. Organosulfur species comprise the bulk of the dissolved sulfur budget and are involved in the bacterial cycling of sulfur in the peatland ecosystem.

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