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Synthesis, in vitro alpha-glucosidase inhibitory activity, and in silico study of (E)-thiosemicarbazones and (E)-2-(2-(arylmethylene)hydrazinyl)-4-arylthiazole derivatives

This study is focused on the identification of thiazole-based inhibitors for the (Formula presented.)-glucosidase enzyme. For that purpose, (E)-2-(2-(arylmethylene)hydrazinyl)-4-arylthiazole derivatives were synthesized in two steps and characterized by various spectroscopic techniques. All derivatives and intermediates were evaluated for their in vitro (Formula presented.)-glucosidase inhibitory activity. Thiosemicarbazones 20 and 35, and cyclized thiazole derivatives 2, 5?11, 13, 15, 21?24, 27?31, and 36?37 showed significant inhibitory potential in the range of (Formula presented.)?(Formula presented.) as compared to standard acarbose ((Formula presented.)). A molecular modeling study was carried out to understand the binding interactions of compounds with the active site of enzyme.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Effect of Substituents on the Nickel-Induced Contact Shifts in Aromatic Amines. Comparison with Spin Delocalization in Phenyl, Benzyl, and Related Radicals

The effect of substituents on the Ni(acac)2-induced proton and carbon NMR contact shifts has been studied in a series of anilines, pyridines, and heterocycles.It is found that substituents have little effect on the shifts unless bonded direcly to nitrogen or separated from it by just one atom.INDO calculations on 2-substituted phenyl radicals suggests that the singly occupied orbital is bent slightly away from the substituent, and the ESR hfcs’s as well as the nickel-induced shifts reflect this distortion.It is concluded that the specifity of Ni(acac)2 for the nitrogen lone pair, the relative constancy of its induced shifts, and their ready interpretation make this a useful NMR shift reagent for amines.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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THE MOLECULAR STRUCTURE OF ISOTHIAZOLE FROM ELECTRON DIFFRACTION AND AB INITIO CALCULATIONS

The molecular structure of isothiazole (<*>SNCHCHCH<*>) has been determined by gas electron diffraction and by ab initio calculations.The molecule was assumed to be planar on the basis of the small inertial defect obtained by earlier microwave studies.The following bond lengths (rg)and bond angles were obtained: S-N 1.642+/-0.005, S-C 1.702+/-0.005, N=C 1.319+/-0.003, C-C 1.436+/-0.003, C=C 1.388+/-0.003, (C-H)mean 1.102+/-0.003 Angstroem, C-S-N 96.1+/-0.2, S-N=C 112.2+/-0.3, N=C-C 111.8+/-0.4, C-C=C 113.8+/-0.4, C=C-S 106.2+/-0.3 deg.The principal moments of inertia calculated from the present electron diffraction geometry are in excellent agreement with those from the microwave studies.The Gaussian 82 program with a 3-21G* basis set (with six d orbitals on sulfur) was used to derive the geometry from ab initio calculations.These calculations facilitated model selection in the electron diffraction analysis.There is a good overall agreement between experimental and computed structures.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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288-16-4, Name is Isothiazole, belongs to isothiazole compound, is a common compound. Computed Properties of C3H3NSIn an article, once mentioned the new application about 288-16-4.

Arsoles, stiboles, and bismoles

The developments in the synthesis of the five-membered heterocycles with one pnictogen (As, Sb, Bi) heteroatom have in the last 15 years or so been practically focused only on three types of compounds: saturated or unsaturated pnictogenoles, monofused pnictogenoles, and diffused pnictogenoles, where the fused ring is benzene, thiophene, isothiazole, benzothiophene, or benzofuran. Trendy is preparation and tuning of the optoelectronic properties of the target compounds, their complexes or polymers, respectively. Almost all syntheses of nearly all systems are based on transmetallation of lithium (for 1,3-diene known as Ashe’s method), potassium, Grignard, copper, titanium, or zirconium species (Fagan?Nugent zirconium metallacycle-transfer method), regardless of whether the system is saturated (as is the case for the majority of compounds) or unsaturated.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Alternative mechanisms of electrophilic substitution in azole series

Data on three mechanisms of aromatic electrophilic substitution in azole series have been presented. First of them is similar to an ordinary addition?elimination mechanism including the formation of a cationic sigma-complex (Wheland intermediate). The second mechanism is realized according to the elimination?addition scheme and includes a protonation or a formation of a complex on the ?pyridine? N atom, proton abstraction from the C atom adjacent to the above N atom, and addition of a cationoid reagent to the ylide (carbene) formed. The third mechanism proposed by the present authors can be realized for azoles having three and two N atoms of the pyridine type. It does not require the preliminary N-protonation or complex formation and occurs due to a strong electron withdrawing effect of several ?pyridine? atoms, resulting in the CH-deprotonation followed by the interaction of the carbanion formed with a cation under mild conditions.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Green synthesis, biological evaluation, and density functional theory calculations of thiazolidinone derivatives ? A review

Objective: Green chemistry articulates an area of research, developing from scientific discoveries about pollution awareness and it exploits a set of principles that reduces or eliminates the usage or generation of hazardous materials in all steps of synthetic progression. Hence, successful introduction of microwave technology is the current exhilarating field in green chemistry, generally classified as microwave-assisted organic synthesis of heterocyclic compounds exclusively thiazolidinone derivatives. Thiazolidinone nucleus especially the 4-thiazolidinone moiety has engaged a distinctive place in the field of medicinal chemistry due to widespread range of biological activities. This variety in the biological response profile has fascinated the consideration of many researchers to discover this skeleton to its manifold potential against numerous activities. This review is complementary to earlier reviews and aims to review the work reported on various biological activities of thiazolidinone derivatives from the year 1991 to the beginning of 2017. Statistics are presented for active compounds, some of which have passed the preclinical testing stage. Methods: An easy and efficient microwave-assisted protocol has been developed for the green synthesis of thiazolidinone derivatives, and reviewed their inhibitory effects on the activity of various pathogens and was optimized by density functional theory. Results: All compounds were found to possess various biological activities such as antibacterial, antitubercular, anticancer, antifungal and activities, respectively. Conclusion: These thiazolidinone derivatives can be believable as new candidates for the treatment of various diseases. Final thoughts attracted from this analysis can perform crucial function shaping the way our team believes concerning existing as well as future projects.

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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. category: isothiazole

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Antipoliovirus activity and mechanism of action of 3-methylthio-5-phenyl-4-isothiazolecarbonitrile

Our previous studies described the synthesis and the antiviral activity of 3,4,5-trisubstituted isothiazole derivatives that were found to be particularly effective against enteroviruses. Compound 3-methylthio-5-phenyl-4-isothiazolecarbonitrile (IS-2) exhibited an interesting anti-poliovirus activity with a high selectivity index. In the present study we investigated the mechanism of action of this compound. Studies on the time of IS-2 addition to poliovirus type 1 infected cells suggested that the compound may inhibit some early process of viral replication. In order to determine its mechanism of action, we evaluated the rate of attachment and internalization of purified [3H]uridine-labeled poliovirus to HEp-2 cells in the presence or absence of IS-2. No effect on poliovirus adsorption and internalization to host cells was detected. We also investigated the influence of the compound on virus uncoating using labeled poliovirus and measuring the radioactivity of oligoribonucleotides formed from viral RNA susceptible to ribonuclease. These experiments demonstrated that poliovirus uncoating is influenced by IS-2 action.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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A thiadiazole reduces the virulence of xanthomonas oryzae pv. Oryzae by inhibiting the histidine utilization pathway and quorum sensing

Thiazole, isothiazole, thiadiazole and their derivatives are widely thought to induce host defences against plant pathogens. In this article, we report that bismerthiazol, a thiadiazole molecule, reduces disease by inhibiting the histidine utilization (Hut) pathway and quorum sensing (QS). Bismerthiazol provides excellent control of bacterial rice leaf blight (BLB) caused by Xanthomonas oryzae pv. oryzae (Xoo), but does not greatly inhibit Xoo growth in vitro. According to RNA-sequencing analysis, the transcription of the Hut pathway genes of Xoo ZJ173 was inhibited after 4.5 and 9.0 h of bismerthiazol treatment. Functional studies of hutG and hutU indicated that the Hut pathway had little effect on the growth and bismerthiazol sensitivity of Xoo in vitro, but significantly reduced the aggregation of Xoo cells. Deletion mutants of hutG or hutU were more motile, produced less biofilm and were less virulent than the wild-type, indicating that the Hut pathway is involved in QS and contributes to virulence. The overexpression of the hutG-U operons in ZJ173 reduced Xoo control by bismerthiazol. Bismerthiazol did not inhibit the transcription of Hut pathway genes, QS or virulence of the bismerthiazol-resistant strain 2-1-1. The results indicate that bismerthiazol reduces Xoo virulence by inhibiting the Hut pathway and QS.

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Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

 

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Volatile compounds of past?rma under different curing processes

The effects of different curing processes (curing temperature 4C or 10C and curing agent 150?mg/kg nitrite or 300?mg/kg nitrate) on the volatile compound profile of the past?rma (Turkish dry-cured meat product) have been investigated. A total of 45 volatile compounds, including alcohols, aldehydes, ketones, aliphatic and aromatic hydrocarbons, terpenes, sulphur compounds, esters, furans and nitrogenous compounds have been identified in past?rma samples. The curing temperature did not have a significant effect on any compound. The curing agent had statistically a significant or very significant influence on 12 compounds. In general, the use of nitrate increased the amount of volatile compound. However, lower mean hexanal value was determined in past?rma samples cured with nitrite than those cured with nitrate. Practical applications: Past?rma is a traditional dry-cured meat product. It is produced from whole muscle and/or mucsles of certain parts of beef or water buffalo carcasses. In curing stage, nitrate was used generally. However, nitrite can be used alone or with nitrate in this stage. In this study, the effects of different curing conditions (150?mg/kg nitrite or 300?mg/kg nitrate and 4C or 10C) on volatile compounds of past?rma were investigated. According to the results, past?rma produced with nitrate generally showed higher amounts of volatile compounds. On the other hand, curing temperature was not significant factor in terms of volatile compounds.

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Reference£º
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. Related Products of 288-16-4

Related Products of 288-16-4, 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. 288-16-4, Name is Isothiazole, molecular formula is C3H3NS. In a Article£¬once mentioned of 288-16-4

Thermal degradation of keratin waste

Thermal degradation of sheep wool, human hair and chicken feathers was studied by TG-MSD/FTIR and by pyrolysis followed by GC-MSD analysis in order to identify the degradation compounds and the temperature range in which they are formed. Only small differences were found between the studied keratin samples. They consist mainly in shift of characteristic temperatures of degradation and in relative amounts of compounds in degradation products, especially in aqueous phase. Degradation started with formation of ammonia and CO2 (from 167 and 197 C respectively and with maximum evolution at 273 and 287 C respectively), continues with formation of sulphur-containing inorganic compounds (SCS, SCO, H2S and SO2 at 240, 248, 255 and 253-260 C respectively) and of water (255 C). Thiols are formed in two stages (257 and 320 C) while the evolution of nitriles is maximum around 340 C and continues up to about 480 C. Phenol and 4-methylphenol are the most important degradation compounds, formed at 370 and 400 C respectively. Nitrogen was present mainly in aliphatic/aromatic nitriles, pyrroles, pyridines and amides while sulphur was found mainly as sulphides, thiols, thiazoles and thiophenes.

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