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Synthesis and crystal structure of the 1-dimensional dihalide-bridged polymers : Dichlorobis(thiazole)iron(II) and dihromobis(thiazole)copper(II)

The new polymeric compound Fe(thiazole)2Cl2 (1) has been synthesised by the addition of thiazole to an ethanolic solution of anhydrous FeCl2. The structure of Cu(tz)2Br2 (2) has also been determined. The structures of both polymers consist of pseudo-octahedral units, doubly linked by halide-bridges to form infinite linear chains. Slight variation in the bonding of the two are observed, relating to the Jahn-Teller nature of Cu2+. Room temperature magnetic susceptibility measurements of 1 give an effective moment of 5.51(2) B.M., indicating high-spin Fe(II).

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Heterocycle substituted purine derivatives as potent antiproliferative agents

The compounds of the present invention are 2,6,9-trisubstituted purine derivatives which are inhibitors of cyclin/cdk complexes. The compounds of the current invention also are potent inhibitors of human cellular proliferation. As such, the compounds of the present invention constitute pharmaceutical compositions with a pharmaceutically acceptable carrier. Such compounds are useful in treating a disorder mediated by elevated levels of cell proliferation in a mammal compared to a healthy mammal by administering to such mammal an effective amount of the compound. Examples of the compounds of the present invention are represented by the following chemical structures: 1with Y, V, A, R1, R2, R3, R4, R7, and n1 defined herein.

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Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics.In a document type is Article, the author is Boogaerts, Ine I. F. and a compound is mentioned, Formula: C3H3NS, Isothiazole, introducing its new discovery. Formula: C3H3NS

Carboxylation of C-H bonds using N -heterocyclic carbene gold(I) complexes

A highly efficient [(NHC)AuI]-based (NHC = N-heterocyclic carbene) catalytic system for the carboxylation of aromatic and heteroaromatic C-H bonds was developed. The significant base strength of the Au-OH species is at the origin of the activation process and permits the facile functionalization of C-H bonds without the use of other organometallic reagents.

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Gas phase basicities of polyfunctional molecules. Part 6: Cyanides and isocyanides

This paper gathers structural and thermochemical informations related to the gas-phase basicity of molecules containing cyanides (nitriles) and isocyanides (isonitriles) functional groups. It constitutes the sixth part of a general review devoted to gas-phase basicities of polyfunctional compounds. A large corpus of cyanides and isocyanides molecules is examined under seven major chapters. In the first one, a rapid overview of the definitions and methods leading to gas-phase basicity, GB, proton affinity, PA, and protonation entropy, DeltapS, is given. In the same chapter, several aspects of the gas phase chemistry of protonated cyanides and isocyanides are also presented. Chapters II-VI detail the protonation energetics of aliphatic, unsaturated, and heteroatom substituted (halogens, O, S, N, P) cyanides. A seventh chapter is devoted to isocyanides. Experimental data available in the literature (120 references) were reevaluated according to the presently adopted basicity scale that is the NIST database anchored to PA(NH3) = 853.6 kJ/mol and GB (NH3) = 819 kJ/mol. In this latter source, however, several erroneous values have been identified which were corrected in the present review. Structural and energetic information given by G4MP2 quantum chemistry computations on ca. 60 typical systems are presented. The present review includes the GB, PA, and DeltapS values of ca. 110 cyanides and isocyanides, and, for selected examples, is completed by a set of computed heats of formation (DeltafH) at 0 and 298 K.

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New data on vanillin-based isothiazolic insecticide synergists

By alkylation of vanillin with 4,5-dichloro-3-chloromethylisothiazole the corresponding ether was synthesized. The latter was then reacted with p-Toluidine to afford the corresponding azomethine. During the bioassays of synthesized isothiazolic derivatives of vanillin in mixtures with insecticides (imidacloprid and alpha-cypermethrin) a strong synergetic effect was observed.(Diagram Parented).

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ALKYNYL ALCOHOLS AS KINASE INHIBITORS

Selected compounds are effective for prophylaxis and treatment of inflammation and inflammatory disorders, such as NIK-mediated disorders. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, inflammation and the like.

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The position of the N atom in the pentacyclic ring of heterocyclic molecules affects the excited-state decay: A case study of isothiazole and thiazole

The radiationless decay of the isothiazole and thiazole molecules in the gas phase is investigated by a combination of static MS-CASPT2 computations with dynamics simulations, and some deactivation pathways are identified leading from the lowest excited singlet (S1) state back to the electronic ground (S0) state. The dominant relaxation pathway of the excited isothiazole is found to involve out-of-plane ring deformation (ring puckering) at the C4=C5(H8)?S1 moiety, while the excited-state decay of thiazole can proceed through the ring puckering and S1?C2 bond cleavage pathways both of which happen at the S1?C2(H6) = N3 moiety. On the basis of the calculation results, we suggest that both ring-puckering and ring-opening routes should play rather important roles in the photophysics and photochemistry of heterocyclic molecules, and the position of the N atom in the heterocyclic ring has an effect on the excited state deactivation.

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Application of 288-16-4, Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. Application of 288-16-4, Name is Isothiazole, molecular formula is C3H3NS. In a Article, authors is Revesz, Laszlo£¬once mentioned of Application of 288-16-4

SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38 MAP kinase inhibitors

2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10 mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5 mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints.

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Isothiazole – Wikipedia,
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The identification of a nitrosated prodrug of the PDE-5 inhibitor aildenafil in a dietary supplement: A Viagra with a pop

A new unapproved analogue of sildenafil was detected in capsules of a herbal dietary supplement promoted as a libido enhancing product. Using LC-DAD-MS, MS-MS, HRMS, IR and NMR the analogue was shown to be a derivative of the PDE-5 inhibitor aildenafil with a nitrosamine moiety. A hydrolysis experiment showed that the new analogue was a prodrug of aildenafil and was therefore named nitroso-prodenafil. A capsule contained 108 mg of nitroso-prodenafil which is equivalent to 84 mg of aildenafil and 5.1 mg of nitrogen monoxide (NO). Although it is unknown how much NO can be usefully generated there is 3-fold more NO present than in a 10 mg isorbide nitrate tablet. Both PDE-5 inhibitors and nitrosamines cause vasodilatation by increasing levels of NO. To their coincidental use is warned against because it may cause a fatal drop in blood pressure. In addition, nitrosamines are known carcinogens. This is the first time a PDE-5 inhibitor and a potential NO donor were identified in one molecule. The findings indicate the dangerous level of advancement in medicinal chemistry by producers of unapproved drugs.

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Isothiazole – Wikipedia,
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A new size-expanded RNA alphabet: Computational design of benzo-homologated (xtz-) isothiazole RNA and comparisons to the x-thieno RNA

Fluorescent nucleobase analogs are of great interest because of their widespread applications in nucleic acids research. In the present work, a new benzo-homologated RNA alphabet comprising xtzA, xtzG, xtzC, and xtzU was computationally designed based on the isomorphic tz-bases. The structural, electronic, and photophysical properties are studied by means of DFT and TDDFT calculations, and the effects of water solution, ribose, and base pairing on the singlet excited transitions were examined. The results are compared with those for tz-bases and xth-bases. These new base analogs can form stable Watson-Crick base pairs with natural counterparts as tz-bases and xth-bases do. Their ionization potentials and HOMO-LUMO gaps are in the middle of tz-bases and xth-bases: xth-base < xtz-base < tz-base. Furthermore, all xtz-bases are predicted to have smaller IPs and HOMO-LUMO gaps than natural bases and tz-bases, they are suggested to be candidates for applications in nanowire technology. The S1 states for all xtz-bases are revealed to be pipi* dominated by the configuration HOMO ? LUMO. In water solution, compared with tz- or xth-bases, the lowest pipi* states are about 20.06?21.91 kcal/mol red-shifted or 0.92?4.15 kcal/mol blue-shifted, respectively. Linking to ribose has negligible effects on the S1 excitation energies, but it owns a larger impact on the corresponding oscillator strengths. Base pairing and water solution as a whole has very little effects on the S1 transition energies of xtzA and xtzC, but it will red-shift those for xtzG and xtzU by 6.69 and 5.30 kcal/mol, respectively. All xtz-bases are expected to display visible fluorescence with the wavelengths predicted to be 540, 585, 524, and 506 nm for xtzA, xtzG, xtzC and xtzU, respectively, in water solution. Though structurally very similar, the excitation maxima and fluorescence emissions of xtz- and xth-bases show distinct differences, allowing them to be distinguished from each other by their spectroscopic characters Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 288-16-4 Reference£º
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