Day: August 3, 2021

New research progress on 93-11-8 in 2021. Chemical research careers are more diverse than they might first appear, as there are many different reasons to conduct research and many possible environments. 93-11-8, Name is Naphthalene-2-sulfonyl chloride, molecular formurla is C10H7ClO2S. In a document, author is Mezil, Lynda, introducing its new discovery. Synthetic Route of 93-11-8.

Background: Targeted therapies, associated with standard chemotherapies, have improved breast cancer care. However, primary and acquired resistances are frequently observed and the development of new concepts is needed. High-throughput approaches to identify new active and safe molecules with or without an a priori” are currently developed. Also, repositioning already-approved drugs in cancer therapy is of growing interest. The thiomorpholine hydroxamate compound TMI-1 has been previously designed to inhibit metalloproteinase activity for the treatment of rheumatoid arthritis. We present here the repositioning of TMI-1 drug in breast cancer. Methodology/Principal Findings: We tested the effect of TMI-1 on luminal, basal and ERBB2-overexpressing breast tumor cell lines and on MMTV-ERBB2/neu tumor evolution. We measured the effects on i) cell survival, ii) cell cycle, iii) extrinsic and intrinsic apoptotic pathways, iv) association with doxorubicin, docetaxel and lapatinib, v) cancer stem cells compartment. In contrast with conventional cytotoxic drugs, TMI-1 was highly selective for tumor cells and cancer stem cells at submicromolar range. All non-malignant cells tested were resistant even at high concentration. TMI-1 was active on triple negative (TN) and ERBB2-overexpressing breast tumor cell lines, and was also highly efficient on human and murine primary” ERBB2-overexpressing cells. Treatment of transgenic MMTV-ERBB2/neu mice with 100 mg/kg/day TMI-1 alone induced tumor apoptosis, inhibiting mammary gland tumor occurrence and development. No adverse effects were noticed during the treatment. This compound had a strong synergistic effect in association with docetaxel, doxorubicin and lapatinib. We showed that TMI-1 mediates its selective effects by caspase-dependent apoptosis. TMI-1 was efficient in 34/40 tumor cell lines of various origins (ED50: 0.6 mu M to 12.5 mu M). Conclusions/Significance: This is the first demonstration of the tumor selective cytotoxic action of a thiomorpholin hydroxamate compound. TMI-1 is a novel repositionable drug not only for the treatment of adverse prognosis breast cancers but also for other neoplasms.

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Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Shainyan, Bagrat A., once mentioned the application of 1591-31-7, Name is 4-Iodo-1,1′-biphenyl, molecular formula is C12H9I, molecular weight is 280.1, MDL number is MFCD00019028, category is thiomorpholine. Now introduce a scientific discovery about this category, Recommanded Product: 1591-31-7.

The stereodynamic behaviour of 1-(trifluoromethylsulfonyl)piperidine 1, 4-(trifluoromethylsulfonyl) morpholine 2, 1,4-bis(trifluoromethylsulfonyl)piperazine 3 and 4-(trifluoromethylsulfonyl)thiomorpholine 1,1-dioxide 4 was studied by low-temperature H-1, C-13 and F-19 NMR spectroscopies. In acetone solution, compounds 1, 2 and 4 were found to exist as mixtures of two conformers in the ratio of 4:1,4:1 and 8:1, respectively, differing by orientation of the CF3 group with respect to the ring. Compound 3 exists as a mixture of three conformers in the ratio of 3:28:69 also differing by the orientation of the two CF3 groups. Unlike the previously studied N-trifyl substituted 1,3,5-triheterocyclohexanes, the preferred conformers of compound 1 and of 1,4-diheterocyclohexanes 2-4 are those with the CF3 group directed outward from the ring, which is caused by intramolecular interactions of the oxygen atoms of the CF3SO2N groups with the equatorial hydrogens in the a-position. B3LYP/6-311+G(d,p) calculations of the energy, geometry and NMR parameters corroborate the experimental data. The calculated Perlin effects for all conformers of compounds 1-4 as well as those measured for the major conformers of compounds 3 and 4 were analyzed by the use of the NBO analysis. (c) 2008 Elsevier Ltd. All rights reserved.

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Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation. 624-31-7, Name is 1-Iodo-4-methylbenzene, molecular formurla is C7H7I. In a document, author is Song, Heyuan, introducing its new discovery. Safety of 1-Iodo-4-methylbenzene.

Methyl glycolate (MG) was synthesized as a precursor to ethylene glycol from the catalytic carbonylation of formaldehyde followed by esterification with methanol by using metal-free, efficient and recyclable SO3H-functionalized ionic liquids (BAILs) as catalysts. Among the studied BAILs, N-butyl-N-(3-sulfonylpropyl) thiomorpholine-1,1-dioxide triflate showed excellent activity and MG selectivity. The effects of reaction parameters such as reactant, solvent, catalyst loading, molar ratio of H2O to H2CO, temperature, pressure, and reaction time were studied. MG was obtained in high yield under mild conditions. At 160 degrees C, 5.0 MPa, and reactant mole ratio of BAIL: H2CO:H2O = 1:40: 80, 98 % conversion of formaldehyde was achieved with 94 % selectivities of MG. Catalysts did not show any significant deterioration in performance in repeated use up to eight batches.

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Application In Synthesis of 3-Tolualdehyde, Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more.620-23-5, Name is 3-Tolualdehyde, SMILES is O=CC1=CC=CC(C)=C1, belongs to thiomorpholine compound. In a article, author is Dkhar, Lincoln, introduce new discover of the category.

A series of cationic complexes [(Cp/Ind)Ru(kappa(2)((SS))-L)(PPh3)]PF6 (1-6) are obtained by the reaction of [CpRu(PPh3)(2)Cl] or [(Ind)Ru(PPh3)(2)Cl] (Cp = eta(5)-C5H5, Ind = eta(5)-C9H7) with respective dithione derivatives 1,2-di(piperidin-1-yl)ethane-1,2-dithione (L1), 1,2-dimorpholinoethane-1,2-dithione (L2) and 1,2-dithiomorpholinoethane-1,2-dithione (L3). All the compounds are characterized using spectroscopic techniques. The molecular structures of complexes 1, 2 and 4 are established by single-crystal X-ray diffraction studies. Antimicrobial studies were tested against three strains of bacterial microorganisms Staphylococcus aureus (gram + ve), Bacillus subtilis (gram + ve), Klebsiella pneumoniae (gram -ve) and one strain of fungal microorganism Candida albicans. (C) 2020 Elsevier B.V. All rights reserved.

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Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Theodosis-Nobelos, Panagiotis, once mentioned the application of 90-05-1, Name is Guaiacol, molecular formula is C7H8O2, molecular weight is 124.1372, MDL number is MFCD00002185, category is thiomorpholine. Now introduce a scientific discovery about this category, Related Products of 90-05-1.

Novel amides of non steroidal anti-inflammatory drugs (NSAIDs), alpha-lipoic acid and indole-3-acetic acid with thiomorpholine were synthesised by a simple method and at high yields (60-92%). All the NSAID derivatives highly decreased lipidemic indices in the plasma of Triton treated hyperlipidemic rats. The most potent compound was the indomethacin derivative, which decreased total cholesterol, triglycerides and LDL cholesterol by 73%, 80% and 83%, respectively. They reduced acute inflammation equally or more than most parent acids. Hence, it could be concluded that amides of common NSAIDs with thiomorpholine acquire considerable hypolipidemic potency, while they preserve or augment their anti-inflammatory activity, thus addressing significant risk factors for atherogenesis. (C) 2015 Elsevier Ltd. All rights reserved.

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In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In an article, author is Freitas, Vera L. S., once mentioned the application of 88-05-1, Name is 2,4,6-Trimethylaniline, molecular formula is C9H13N, molecular weight is 135.2062, MDL number is MFCD00007740, category is thiomorpholine. Now introduce a scientific discovery about this category, Category: thiomorpholine.

The influence of the heteroatoms in the conformational, energetic, and reactivity trends exhibited by morpholine and thiomorpholine isosteres was obtained from computational and experimental thermochemical studies. For those purposes, the gas-phase standard (p = 0.1 MPa) molar enthalpies of formation of the compounds, at T = 298.15 K, were determined from the experimental values of the standard molar. enthalpies of formation, in the liquid phase, and of the standard molar: enthalpies of vaporization, obtained by calorimetric techniques, and also from composite G3(MP2)// B3LYP calculations making use of appropriate working reactions. A very good agreement was found between the calculated and the experimental gas-phase enthalpies of formation. The computational study was further extended to the calculation of other gas-phase thermodynamic properties these compounds, namely, the N-H or C-H bond dissociation enthalpies, gas-phase acidities and basicitics, proton affinities and adiabatic ionization enthalpies, and the energies and structures of the conformational stereoisomers of morpholine and thiomorpholine.

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Thiomorpholine – Wikipedia,
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Formula: https://www.ambeed.com/products/3068-76-6.html, Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more.3068-76-6, Name is N-(3-(Trimethoxysilyl)propyl)aniline, SMILES is CO[Si](CCCNC1=CC=CC=C1)(OC)OC, belongs to thiomorpholine compound. In a article, author is Sovilj, SP, introduce new discover of the category.

Five new Cu-II complexes of general formula [Cu-2(Rdtc)tpmc](ClO4)(3), (1)-(5), where tpmc and Rdtc(-) refer to N,N’,N,N’-tetrakis(2-pyridylmethyl)-1,4,8,11-teraazacyclotetradecane and piperidine- (Pipdtc), 4-morpholine-(Morphdtc), 4-thiomorpholine- (Timdtc), piperazine- (Pzdtc) or N-methylpiperazine- (N-Mepzdtc) dithiocarbamates, respectively, have been prepared. Elemental analyses, conductometric and magnetic measurements, u.v./vis, i.r., e.p.r. and mass spectroscopy have been employed to characterize them. The complexes adopt an exo coordination of CuII ions and tpmc. The dithiocarbamate ion joins both the sulphur and the copper atoms acting as a bridging ligand The presence of different heteroatoms in the piperidine ring influences the nu(Cdouble bondN) and nu(Cdouble bondS) vibrations which decrease in the order of the complexes: Pipdtc > N-Mepipdtc > Pzdtc > Morphdtc > Timdtc ligands. Attention has been paid to the detailed mechanism of the mass spectral fragmentation of the complexes. The g(eff) factors of the complexes have been also estimated by e.p.r. spectra. Finally, the complexes obtained demonstrate microbiologycal activity against some bacteria.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Srivastava, Stuti, once mentioned the application of 657-84-1, Name is Sodium p-toluenesulfonate, molecular formula is C7H7NaO3S, molecular weight is 194.18, MDL number is MFCD00064388, category is thiomorpholine. Now introduce a scientific discovery about this category, Related Products of 657-84-1.

The three component reaction of alpha-aminoacids, mercaptoacetaldehyde and an isocyanide smoothly and stereoselectively yields the novel scaffold 1,2-disubstituted N-alkyl(aryl)-6-oxo thiomorpholine-3-carboxamide. In this communication we present our preliminary results on six compounds derived from this unprecedented reaction.

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Thiomorpholine – Wikipedia,
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Related Products of 5428-54-6, Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects.5428-54-6, Name is 2-Methyl-5-nitrophenol, SMILES is C1=C([N+]([O-])=O)C=CC(=C1O)C, belongs to thiomorpholine compound. In a article, author is Clegg, Jack K., introduce new discover of the category.

The sequential interaction of preformed [Cu-2(L-1)(2)(THF)(2)] (where H2L1 is 1,1-(1,3-phenylene)-bis(4,4-dimethylpentane-1,3-dione incorporating a 1,3-phenylene linker between its two beta-diketone domains) and [Cu-2(L-4)(2)]center dot 2H(2)O (where H2L4 is 1,1-(4,4′-oxybiphenylene)-bis(4,4-dimethylpentane-1,3-dione) incorporating a flexible oxybiphenylene linkage between the two beta-diketone groups) with the potentially difunctional aliphatic non-planar co-ligands, N-methylpiperazine (mpip), N,N’-dimethylpiperazine (dmpip) and 1,4-thiomorpholine (thiomorph) is reported. A series of extended molecular assemblies exhibiting a range of di- and tetranuclear assemblies were obtained and their X-ray structures determined. Dinuclear [Cu-2(L-1)(2)(mpip)(2)]center dot 2mpip incorporates two 5-coordinate, square pyramidal metal centres as does tetranuclear [{Cu-2(L-1)(2)}(2)(dmpip)(2)]center dot 2dmpip. In contrast, dinuclear [Cu-2(L-1)(2)(dmpip)(4)]center dot dmpip and [{Cu-2(L-1)(2)}(2)(thiomorph)(4)]center dot 3thiomorph each contain two 5-coordinate and two 6-coordinate centres. Each of [Cu-2(L-4)(2)(THF)(2)]center dot 2THF and Cu-2(L-4)(2)(mpip)(2)]center dot H2O incorporate only 5-coordinate metal centres, with the latter complex forming a one-dimensional hydrogen bonded ribbon-like structure directed along the crystallographic a-axis. In keeping with the documented tendency for the smallest, least strained assembly to form in supramolecular self-assembly processes, the incorporation of the flexible oxy linkage between the 4,4′-linked phenylene rings of H2L3 results in generation of a dinuclear [Cu2L2] species rather than a trinuclear (triangular) [Cu3L3] species of the type formed by the more rigid bis-beta-diketonato ligand analogue in which the biphenylene rings separating the beta-diketone domains are directly coupled in their 4,4′ positions.

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When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. In an article, author is Capperucci, Antonella, once mentioned the application of 101-20-2, Name is 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea, molecular formula is C13H9Cl3N2O, molecular weight is 315.5824, MDL number is MFCD00013254, category is thiomorpholine. Now introduce a scientific discovery about this category, Safety of 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea.

delta-Hydroxy- and delta-amino alpha-thio-esters, easily obtainable through S-alkylation of beta-mercapto alcohols and delta-amino thiols with bromo acetate, behave as suitable starting compounds to obtain various 2-hydroxy-1,4-oxathianes and (S)-3,4-dihydro-2H-1,4-thiazines via a reductive ring closure. Under similar conditions, selenated heterocycles are also synthesized. [GRAPHICS] .

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Thiomorpholine – Wikipedia,
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