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Multigram synthesis of (chlorosulfonyl)benzenesulfonyl fluorides is described. Selective modification of these building blocks at the sulfonyl chloride function under parallel synthesis conditions is achieved. It is shown that the reaction scope includes the use of (hetero)aromatic and electron-poor aliphatic amines (e.g., amino nitriles). Utility of the method is demonstrated by preparation of the sulfonyl fluoride library for potential use as covalent fragments, which is demonstrated by a combination of in silico and in vitro screening against trypsin as a model enzyme. As a result, several inhibitors were identified with activity on par with that of the known inhibitor.

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An object of the present invention is to provide compounds having potent antitumor activity. The compounds according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts or solvates thereof: 1wherein X and Z represent CH or N; Y represents O or S; R1, R2, and R3 represent H, alkoxy or the like; R4 represents H; R5, R6, R7, and R8 represent H, halogen, alkoxy or the like; R9 and R10 represent H, alkyl or the like; and R11 represents optionally substituted azolyl.

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The reaction of 3-amino-1,2,4-oxadiazoles 6a,b,3-aminoisoxazole 9 and 3-amino-1,2,5-oxadiazoles 12a,b with ethoxycarbonyl isothiocyanate has been investigated.In the case of 6a,b the reaction directly gave the 1,2,4-thiadiazoles 8a,b, because of a spontaneous rearrangement of the initially formed thioureas 7a,b.In the case of 9 and 12a,b, the reaction allowed to isolate the corresponding thioureas which were easily rearranged into 1,2,4-thiadiazoles.

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Visible-light photocatalysis boosted by Z-scheme photocatalysts has been deemed as an economic and effective way in eliminating emerging antibiotics pollution. A Z-scheme heterojunction photocatalyst g-C3N4@PDA/BiOBr (CNPB) was hereby facilely constructed through polydopamine (PDA) modification of g-C3N4 followed by deposition of BiOBr component via a solvothermal reaction. The structure, morphology, optical and photoelectrochemical properties etc. of CNPB were characterized and explored. The photocatalytic activity of CNPB was assessed on the degradation of sulfamethoxazole (SMX). CNPB manifested remarkably improved photocatalytic performance than the as-prepared g-C3N4, BiOBr and g-C3N4/BiOBr heterojunction in the degradation of SMX under visible light irradiation. SMX could be nearly completely degraded in 60 mins by CNPB, while the degradation rate of SMX under g-C3N4, BiOBr, g-C3N4/BiOBr heterojunction, and the ?g-C3N4@PDA + BiOBr? mixture were 30%, 42%, 71%, and 47%, respectively. The highly enhanced photocatalytic efficiency of CNPB was attributed to the synergistic effect of improved light harvesting and accelerated transport and separation of photo-generated carriers in the Z-scheme structure with PDA as efficient electron transfer mediators. A Z-scheme charge transfer mechanism was confirmed by experiments on radical scavenging and electron spin resonance (ESR) signals trapping, which demonstrated that the h+ and [rad]O2? were the major reactive species in oxidizing SMX. The degradation mechanism, main intermediates and reaction pathways were further explored. Besides, CNPB exhibited good stability and reusability in multiple uses. The construction of Z-scheme photocatalyst using biomimetic polydopamine as electron transfer mediators may provide an insight into designing new and efficient photocatalysts for environmental applications.

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Synthesis of some novel coumarin based azo dyes was carried out by diazotization of heterocyclic amines using nitrosyl sulphuric acid and then coupling them with 7-hydroxy-4-methyl Coumarin. The synthesized dyes when applied on polyester fibers showed moderate to good light fastness and very good to excellent fastness to washing, rubbing, perspiration and sublimation.

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The reactions of 3-amino-5-methyl- and 3-amino-5-phenyl-1,2,4-oxadiazoles, 3-amino-5-methylisoxazole, and 3-amino-4-methyl- and 3-amino-4-phenyl-1,2,5- oxadiazoles with phenyl isothiocyanate have been investigated, and the reactivity of phenylthioureido-derivatives (3) of these ring systems towards rearrangement have been studied. The presence of a sulphur atom in the side-chain sequence (1; XYZ = NCS) greatly enhances the reactivity of the systems under consideration towards rearrangement. The tendency of the three heterocycles to rearrange decreases in the order 1,2,4-oxadiazole > isoxazole > 1,2,5-oxadiazole.

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 1072-67-9, name is 5-Methylisoxazol-3-amine, introducing its new discovery. Computed Properties of C4H6N2O

Dipyridine cobalt chloride is used as an alternative conventional Lewis acid catalyst in the Pechmann condensation of isoxazolyl phenols with beta-ketoesters leading to the formation of isoxazolyl coumarins. The method is simple, cost-effective and at ambient temperature gives good yields.

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In this article, heat-activated persulfate oxidation was investigated as a promising technique for the removal of sulfamethoxazole from an aqueous environment. It was found that the degradation efficiency of sulfamethoxazole increases with increasing persulfate concentration due to the increased [rad]SO4? production. As suggested by the Arrhenius equation, the sulfamethoxazole degradation rate constant increased with increasing temperature. An activation energy of 103 kJ/mol was determined. Furthermore, the initial pH of the reaction mixture had a large influence on the degradation of sulfamethoxazole. At higher initial pH values, the degradation of sulfamethoxazole increased. The main cause for this increase is a difference in sulfamethoxazole distribution: at higher pH, the deprotonated form of sulfamethoxazole is present and found to be more susceptible to degradation. A second reason was found to be the formation of [rad]OH at higher initial pH values, although this contribution was smaller. To elucidate the degradation process, six intermediates were identified, and the difference in formation of these compounds at different initial pH values was revealed. Through ECOSAR modeling, some degradation products were found to be of main interest when monitoring the toxicity of the degradation mixture.

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A one-pot three-component condensation reaction of 3-amino-5-methylisoxazole, aryl aldehyde and 2-naphthol to afford the corresponding 3-amino isoxazolmethylnaphthols in good to excellent yields. The remarkable features of this new procedure are high conversions, clean reaction condition, short reaction time, nonhazardous and environmentally friendly reaction condition, inexpensive and easily commercially availability of the catalyst and simple work-up procedures.

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Background: Diabetes mellitus is the third-largest non-communicable chronic disease worldwide. There are many effective drugs, but the long-term use of these clinical drugs may cause various side effects. Therefore, it is urgent to develop new antidiabetic molecules with higher efficacy and lower toxicity. Methods: Fifteen new 3-aryl-1-(5-methylisoxazol-3-ylamino)-1-(4-nitrophenyl)propan-1-one were synthesized directly through the Mannich reaction of 4-nitroacetophenone, 3-amino-5- methylisoxazole and aromatic aldehydes catalyzed by concentrated hydrochloric acid. The molecular structures of the products were fully characterized by 1H NMR, 13C NMR, ESI MS and HRMS. The peroxisome proliferator-activated receptor (PPAR) response element and alpha-glucosidase inhibitory activity of these compounds were evaluated in vitro. Molecular docking, molecular physical parameters calculation, and molecular toxicity prediction were performed to analyze the structure- activity relationship and evaluate the druggability of these compounds theoretically. Results: All compounds exhibited weak antidiabetic activities, but compound 15 showed promising as a high performance, dual-target antidiabetic lead compound with peroxisome proliferatoractivated receptor (PPAR) response element relative agonist activity of 99.55% at 27.2 nmol?mL-1 and a-glucosidase inhibitory activity of 35.21% at 13.6 nmol?mL-1. All compounds obtained may have no cardiotoxicity, no acute toxicity, no carcinogenic, and within safe range of mutagenic risk. Conclusion: This study identified a potential PPAR lead molecule and presented an unusual strategy for antidiabetic drug development.

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