Day: May 31, 2021

New Advances in Chemical Research, May 2021.Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, nano-ceramics, preparation and modification of special coatings. 92-30-8, Name is 2-(Trifluoromethyl)-10H-phenothiazine, belongs to thiazines compound, is a common compound. In a pantent, author is Muhammad, Nadeem Arshad, once mentioned the new application about 92-30-8, Safety of 2-(Trifluoromethyl)-10H-phenothiazine.

Synthesis, Crystal Structure and Spectroscopic Properties of 1,2-Benzothiazine Derivatives: An Experimental and DFT Study

1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide (1) and methyl 2-ethy1-3-hydroxy-4-oxo-3,4-dihydro-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide (2) were synthesized, and characterized by spectroscopic techniques; H-1-NMR and infrared (IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3LYP method of density functional theory (DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential (IP), Electron Affinities (EA) and coefficients of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of compounds 1 and 2 were simulated for the first time.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Research speed reading in 2021. The prevalence of solvent effects catalysis has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 2235-54-3, Name is Ammonium dodecyl sulfate, belongs to thiazines compound, is a common compound. In a pantent, author is Wirjanata, Grennady, once mentioned the new application about 2235-54-3, Name: Ammonium dodecyl sulfate.

Potent Ex Vivo Activity of Naphthoquine and Methylene Blue against Drug-Resistant Clinical Isolates of Plasmodium falciparum and Plasmodium vivax

The 4-aminoquinoline naphthoquine (NQ) and the thiazine dye methylene blue (MB) have potent in vitro efficacies against Plasmodium falciparum, but susceptibility data for P. vivax are limited. The species- and stage-specific ex vivo activities of NQ and MB were assessed using a modified schizont maturation assay on clinical field isolates from Papua, Indonesia, where multidrug-resistant P. falciparum and P. vivax are prevalent. Both compounds were highly active against P. falciparum (median [range] 50% inhibitory concentration [IC50]: NQ, 8.0 nM [2.6 to 71.8 nM]; and MB, 1.6 nM [0.2 to 7.0 nM]) and P. vivax (NQ, 7.8 nM [1.5 to 34.2 nM]; and MB, 1.2 nM [0.4 to 4.3 nM]). Stage-specific drug susceptibility assays revealed significantly greater IC(50)s in parasites exposed at the trophozoite stage than at the ring stage for NQ in P. falciparum (26.5 versus 5.1 nM, P = 0.021) and P. vivax (341.6 versus 6.5 nM, P = 0.021) and for MB in P. vivax (10.1 versus 1.6 nM, P = 0.010). The excellent ex vivo activities of NQ and MB against both P. falciparum and P. vivax highlight their potential utility for the treatment of multidrug-resistant malaria in areas where both species are endemic.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

New Advances in Chemical Research, May 2021.The potential utility of systematic synthetic strategy will be applicable to efficient generations of chemical libraries of compounds to find ‘hit’ molecules. 196597-78-1, Name is 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one, belongs to thiazines compound, is a common compound. In a pantent, author is Strzemecka, Leokadia, once mentioned the new application about 196597-78-1, Computed Properties of https://www.ambeed.com/products/196597-78-1.html.

Determination of Lipophilicity of Allyl Thiosemicarbazide, N-1-Thiocarbamylamidrazone Derivatives, and their Cyclic Products by RP-HPLC, RP-TLC, and Theoretical Methods: Effects of Selected Compounds on the CNS of Mice

The allyl thiosemicarbazide, N-1-thiocarbamylamidrazone derivatives, and the products of their cyclization: the 1,2,4-triazole, 1,3,4-thiadiazole, 1,2,4-triazole[3,4-b]1,3-thiazine, 1,2,4-triazole[3,2-b]1,3-thiazine, 1,3,4-thiadiazole[3,2-a]pyrimidine, 5,6-dihydrothiazolo[2,3-c][1,2,4]triazole, and benzoic acid derivatives have been analyzed by RP-HPLC and RP-TLC methods using the methanol-water mixtures as the mobile phase and the octadecyl stationary phase. The lipophilicity was expressed as the chromatographically derived descriptors: mean of k(mk), mean of logk (mlogk), logk(W), S, and phi(0), scores of k, logk, and R-M corresponding to the first principal component. Additionally, the authors propose to introduce a descriptor (logk(m)) corresponding to the residual specific interactions. Chromatographic parameters of lipophilicity were compared with the partition coefficient (logP) calculated by various softwares (milogP, clogP, AlogPs, AClogP, AlogP, MlogP, KOWWIN, XlogP2, XlogP3). The matrices were created with logk(W) or R-MW and logP and they have been the subject of PCA analysis. The effects of the selected compounds on the central nervous system (CNS) of mice were studied.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Research speed reading in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, nano-ceramics,and research on the structure and performance of functional materials. , Electric Literature of 92-39-7, 92-39-7, Name is 2-Chloro-10H-phenothiazine, molecular formula is C12H8ClNS, belongs to thiazines compound. In a document, author is Blokhina, Svetlana, introduce the new discover.

Sublimation enthalpy of 1,3-thiazine structural analogues: Experimental determination and estimation based on structural clusterization

The saturated vapor pressures of 4 nonaromatic bicyclic 1,3-thiazine and 1,3-selenazine derivatives have been measured by the method of transpiration by inert gas-carrier in the temperature range of 308-392 K. Based on the experimental data the thermodynamic functions of sublimation have been calculated. The sublimation enthalpies of the compounds vary from 104 to 150 kJ mol(-1) depending on the chemical nature of the substituent in the aryl moiety and the heteroatom in the bicyclic fragment. The crystal lattice energy of thiazines decreases with the introduction of substituents in the following order: cyano > acetyl > isopropyl. New approach has been suggested to evaluating sublimation enthalpy of the studied and structurally related compounds by using clusterization of the space of experimental points.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

New Advances in Chemical Research, May 2021.The potential utility of systematic synthetic strategy will be applicable to efficient generations of chemical libraries of compounds to find ‘hit’ molecules. 5326-23-8, Name is 6-Chloronicotinic acid, belongs to thiazines compound, is a common compound. In a pantent, author is Paul, Mathias, once mentioned the new application about 5326-23-8, Computed Properties of https://www.ambeed.com/products/5326-23-8.html.

Breslow Intermediates from a Thiazolin-2-ylidene and Fluorinated Aldehydes: XRD and Solution-Phase NMR Spectroscopic Characterization

The first generation and X-ray diffraction (XRD) analysis of a crystalline Breslow intermediate (BI) derived from a thiazolin-2-ylidene, that is, the aromatic heterocycle present in vitamin B-1, is reported. Key to success was the combined use of pentafluorobenzaldehyde and a thiazolin-2-ylidene carrying an enol-stabilizing dispersion energy donor as N-substituent. A so-called primary intermediate (PI) could be isolated in protonated form (pPI) as well and analyzed by XRD. Furthermore, the first stable BI derived from an aromatic thiazolin-2-ylidene and an aliphatic aldehyde (trifluoroacetaldehyde) was prepared and characterized by NMR spectroscopy in solution. When switching to a saturated thiazolidin-2-ylidene, reaction with pentafluorobenzaldehyde afforded a new BI in solution (NMR spectroscopy). Attempts to crystallize the latter BI resulted in the isolation of a novel thiazolidin-2-ylidene dimer that had undergone rearrangement to a hexahydro[1,4]-thiazino[3,2-b]-1,4-thiazine.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

New Advances in Chemical Research, May 2021.The potential utility of systematic synthetic strategy will be applicable to efficient generations of chemical libraries of compounds to find ‘hit’ molecules. 196597-78-1, Name is 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one, belongs to thiazines compound, is a common compound. In a pantent, author is Velikorodov, A. V., once mentioned the new application about 196597-78-1, HPLC of Formula: https://www.ambeed.com/products/196597-78-1.html.

Synthesis of New Derivatives of 5-Acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione

5-Acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione reacted with cyclohexyl and benzyl (4-aminophenyl)carbamates in boiling ethanol in the presence of a catalytic amount of glacial acetic acid to give the corresponding Schiff bases, cyclohexyl and benzyl (4-{[(E)-1-(4-hydroxy-2,6-dioxo-3,6-dihydro-2H-1,3-thiazin-5-yl)ethylidene]amino}phenyl)carbamates. Heating of the latter in dimethylformamide for 2 h was accompanied by evolution of COS with the formation of cyclohexyl and benzyl {4-[6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]phenyl}carbamates. The condensation of the title compound with benzene-1,2-diamine in propan-2-ol, followed by addition of 5-arylfuran-2-carbaldehyde and trifluoroacetic acid afforded 5-(2-{5-[4-bromo(nitro)phenyl]furan-2-yl}-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-diones. 5-((E)-3-{5-[4-Bromo(nitro)phenyl]furan-2-yl}prop-2-enoyl)-4-hydroxy-2H-1,3-thiazine-2,6(3H)-diones were synthesized by condensation of 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione with 5-[4-bromo(nitro)phenyl]furan-2-carbaldehydes in chloroform in the presence of catalytic amounts of pyridine and piperidine.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Research speed reading in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. 5460-09-3, Name is Sodium 4-Amino-5-hydroxy-2,7-naphthalenedisulfonate, belongs to thiazines compound, is a common compound. In a pantent, author is Jelen, Malgorzata, once mentioned the new application about 5460-09-3, Recommanded Product: 5460-09-3.

Lipophilicity estimation of anti-proliferative and anti-inflammatory 6-substituted 9-fluoroquino[3,2-b]benzo[1,4]thiazines

The lipophilicity parameters (logP(calcd), R-M0 and logP(TLC)) of 17 new anti-proliferative and anti-inflammatory tetracyclic 6-substituted 9-fluoroquinobenzothiazines were determined theoretically using computational methods and experimentally by reversed-phase thin-layer chromatography. The experimental parameter R-M0 was determined on the RP-18 silica plates with acetone-aqueous TRIS buffer as mobile phase. The obtained parameter R-M0 was further transformed into parameter logP(TLC) by use of the calibration curve. The theoretical logP(calcd) values differed depending on the substituents and nature of calculating programs. Fluoroquinobenzothiazines turned out to be rather middling or highly lipophilic compounds. The parameter R-M0 and specific hydrophobic surface area b were meaningly intercorrelated showing congeneric two classes of quinobenzothiazines. The calculated logP(calcd) and experimental logP(TLC) values were compared and intercorrelated to show different prediction power of the computational programs. The lipophilicity was correlated with molecular descriptors (molar mass, molar volume, and molar refractivity), biomolecular descriptors (HIA, PB, MDCK, Caco-2, and BBB) and in vitro tested biological activities (tumor necrosis factor alpha inhibition and antiproliferative activity). [GRAPHICS] .

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Research speed reading in 2021. The prevalence of solvent effects catalysis has motivated developing quantitative kinetic, and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 5326-23-8, Name is 6-Chloronicotinic acid, belongs to thiazines compound, is a common compound. In a pantent, author is Abbas, Ikhlass M., once mentioned the new application about 5326-23-8, HPLC of Formula: https://www.ambeed.com/products/5326-23-8.html.

Synthesis and characterisation of some novel fused thiazolo[3,2-a] pyrimidinones and pyrimido[2,1-b][1,3]thiazinones

Reactions of 7,9-bis(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrido[3′,2′:4,5]thieno[3,2-d]pyrimidin-4(1H)-one with alpha-haloketones, chloroacetonitrile and DMAD, afforded the corresponding fused thiazolo[3,2-a]pyrimidinone derivatives. The reaction of the thione with chloroacetic acid and an appropriate aromatic aldehyde yielded the respective 2-arylidene-2H-pyrido[3′,2′:4,5]thieno[3,2-d]thiazolo[3,2-a]pyrimidine-3,5-diones. Also, the treatment of thione with arylidenemalononitriles gave the fused pyrimido[2,1-b][1,3]thiazine derivatives, respectively. The structures of the synthesised products were confirmed by IR, H-1 NMR and mass spectral techniques. The cytotoxic activity of the new products against breast carcinoma (MCF-7) and hepatocellular carcinoma (HepG2) cell lines were determined and the results revealed promising activity.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Chemical Research Letters, May 2021. Redox catalysis has been broadly utilized in electrochemical synthesis. The appropriate choice of redox mediator can avoid electrode passivation, which strongly inhibit the efficient activation of substrates. 20277-69-4, Name is Sodium methanesulfinate, molecular formula is CH3NaO2S. In an article, author is Chakraborty, Utsav,once mentioned of 20277-69-4, SDS of cas: 20277-69-4.

Organic-inorganic hybrid layer-by-layer electrostatic self-assembled film of cationic dye Methylene Blue and a clay mineral: Spectroscopic and Atomic Force microscopic investigations

The metachromic cationic dye Methylene Blue (MB) belongs to the thiazine class of organic dye. This dye cation can interact electrostatically with inorganic clay mineral Montmorillonite (MMT) to form organic inorganic hybrid layer-by-layer (LbL) self-assembled film onto a poly(allylamine hydrochloride) coated quartz substrate. The degree of dye aggregations in LbL films was found to depend on concentrations of both MMT clay and MB in LbL self-assembled films as evidenced by UV vis absorption spectroscopic technique. The adsorption of dye molecules to the LbL films was found to a two-step exponential process: first step was very fast and the later process had a much delay period. Also the assembling behavior and organizations of MB molecules in the host clay matrix in LbL films significantly depend on pH of dye solution from which LbL film was fabricated. For MMT/MB mixed solution the pi-pi transition of absorption bands of MB shifted to lower wavelength due to the formation of large number of H-aggregates in their mixed aqueous solution. Fourier Transform infrared (in ATR mode) spectroscopic method was employed to explore the electrostatic interaction between clay MMT and MB in LbL films. Atomic Force microscopic image of hybrid LbL films revealed the surface morphology and roughness profile of the organic-inorganic hybrid molecular assemblies onto the solid substrate. (C) 2017 Elsevier B.V. All rights reserved.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Research speed reading in 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. catalysts provide a surface to which reactants bind in a process of adsorption. , Name: (R)-Methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate, 147118-35-2, Name is (R)-Methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate, molecular formula is C31H39O4PSi, belongs to thiazines compound. In a document, author is Abdalla, Magda, introduce the new discover.

Synthesis and evaluation of some novel thiazoles and 1,3-thiazines as potent agents against the rabies virus

A series of novel thiazoles and 1,3-thiazine derivatives were synthesized in good yield via reaction of ethyl 3-(1-(2-thiocarbamoylhydrazono)ethyl)-1,5-dipheny1-1 H-pyrazole-4-carboxylate with hydrazonoyl halides and aryliden-emalononitriles, respectively. The structure of the newly synthesized products was elucidated via elemental analysis, spectral data, and alternative routes whenever possible. Moreover, the antiviral screening of the products was evaluated and the results revealed that some of them have strong to moderate potency against the rabies virus compared with the reference drug.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem