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hemistry is a science major with cience and engineering. The main research directions are chemical synthesis, preparation and modification of special coatings, and research on the structure and performance of functional materials , Computed Properties of C9H9BrO2. Introducing a new discovery about 214894-89-0, Name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine

Synthesis and in vitro affinities of various MDL 100907 derivatives as potential 18F-radioligands for 5-HT2A receptor imaging with PET

Radiolabelled piperidine derivatives such as [11C]MDL 100907 and [18F]altanserin have played an important role in diagnosing malfunction in the serotonergic neurotransmission. A variety of novel piperidine MDL 100907 derivatives, possible to label with 18F-fluorine, were synthesized to improve molecular imaging properties of [11C]MDL 100907. Their in vitro affinities to a broad spectrum of neuroreceptors and their lipophilicities were determined and compared to the clinically used reference compounds MDL 100907 and altanserin. The novel compounds MA-1 (53) and (R)-MH.MZ (56) show Ki-values in the nanomolar range towards the 5-HT2A receptor and insignificant binding to other 5-HT receptor subtypes or receptors. Interestingly, compounds MA-1 (53), MH.MZ (55) and (R)-MH.MZ (56) provide a receptor selectivity profile similar to MDL 100907. These compounds could possibly be preferable antagonistic 18F-tracers for visualization of the 5-HT2A receptor status. Medium affine compounds (VK-1 (32), (51), (52), (54)) were synthesized and have Ki values between 30 and 120 nM. All promising compounds show log P values between 2 and 3, that is, within the range of those for the established radiotracers altanserin and MDL 100907. The novel compounds MA-1 (53) and (R)-MH.MZ (56) thus appear to be promising high affine and selective tracers of 18F-labelled analogues for 5-HT2A imaging with PET.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition

Since high levels of nitric oxide (NO) are implicated in neurodegenerative disorders, inhibition of the neuronal isoform of nitric oxide synthase (nNOS) and reduction of NO levels are therapeutically desirable. Nonetheless, many nNOS inhibitors mimic l-arginine and are poorly bioavailable. 2-Aminoquinoline-based scaffolds were designed with the hope that they could (a) mimic aminopyridines as potent, isoform-selective arginine isosteres and (b) possess chemical properties more conducive to oral bioavailability and CNS penetration. A series of these compounds was synthesized and assayed against purified nNOS enzymes, endothelial NOS (eNOS), and inducible NOS (iNOS). Several compounds built on a 7-substituted 2-aminoquinoline core are potent and isoform-selective; X-ray crystallography indicates that aminoquinolines exert inhibitory effects by mimicking substrate interactions with the conserved active site glutamate residue. The most potent and selective compounds, 7 and 15, were tested in a Caco-2 assay and showed good permeability and low efflux, suggesting high potential for oral bioavailability.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. Product Details of 214894-89-0, In a article, mentioned the application of 214894-89-0, Name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, molecular formula is C9H9BrO2

Synthesis and in vitro and in vivo characterization of highly beta1-selective beta-adrenoceptor partial agonists

beta-Adrenoceptor antagonists boast a 50-year use for symptomatic control in numerous cardiovascular diseases. One might expect highly selective antagonists are available for the human beta-adrenoceptor subtype involved in these diseases, yet few truly beta1-selective molecules exist. To address this clinical need, we re-evaluated LK 204-545 (1),(1) a selective beta1-adrenoceptor antagonist, and discovered it possessed significant partial agonism. Removal of 1’s aromatic nitrile afforded 19, a ligand with similar beta1-adrenoceptor selectivity and partial agonism (log KD of -7.75 and -5.15 as an antagonist of functional beta1- and beta2-mediated responses, respectively, and 34% of the maximal response of isoprenaline (beta1)). In vitro beta-adrenoceptor selectivity and partial agonism of 19 were mirrored in vivo. We designed analogues of 19 to improve affinity, selectivity, and partial agonism. Although partial agonism could not be fully attenuated, SAR suggests that an extended alkoxyalkoxy side chain, alongside substituents at the meta- or para-positions of the phenylurea, increases ligand affinity and beta1-selectivity.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES

The invention is concerned with novel N-(4-carbamimidoyl-phenyl)-glycine derivatives of the formula: wherein R1, E, X1 to X4 and G1 and G2 are as defined in the description and the claims, as well as hydrates or solvates and physiologically usable salts thereof.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Synthesis of (+/-)-<4aalpha,4bbeta,10bbeta,12abeta>-9-halogeno-2-methyl-1,2,3,4,4a,5,6,10b,11,12,12a-dodecahydronaphtho<2,1-f>isoquinolines

Treatment of 5-(2-arylethyl)-1,2,3,4,5,6,7,8-octahydroisoquinolines with 48percent HBr resulted in isomerisation of the double bond and subsequent cyclisation at position 6 of the octahydroisoquinoline ring system to give (+/-)-<4aalpha,4bbeta,10bbeta,12abeta>-9-halogeno-2-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho2,1-f>isoquinolines.The products obtained represent novel analogues of aza-D-homoestranes.No reaction was observed with the corresponding 5,5-disubstituted octahydroisoquinolines.An X-ray crystallographic study of compound 10 (X = Br) is described.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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4-Aryl-3-butenoic acids and lower alkyl esters

Benzyl esters and thiolesters of 4-aryl-3-butenoic acids, intermediates therefor, synthesis thereof, and the use of said esters and thiolesters for the control of pests.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Novel compounds and their use

A compound of the general formula (I): 1wherein R1, R2, X, Y and Z are as described in the specification.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Synthesis, immunosuppressive activity and structure-activity relationship study of a new series of 4-N-piperazinyl-thieno[2,3-d]pyrimidine analogues

The synthesis of a new series of 4-N-piperazinyl-thieno[2,3-d]pyrimidines is described. The synthetic route allows introducing structural variety at positions 2, 4 and 6 of the scaffold. Evaluation of their immunosuppressive activity in a Mixed Lymphocyte Reaction (MLR) assay revealed that the most potent compound has an IC50-value of 66 nM and therefore deserves attention for further medicinal chemistry optimization.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Understanding the exceptional hydrogen-atom donor characteristics of water in TiIII-mediated free-radical chemistry

In recent years solid evidence of HAT reactions involving water as hydrogen atom source have been presented. In this work we demonstrate that the efficiency of titanocene(III) aqua complexes as an unique class of HAT reagents is based on two key features: (a) excellent binding capabilities of water toward titanocene(III) complexes and (b) a low activation energy for the HAT step. The theory has predictive capabilities fitting well with the experimental results and may aid to find more examples of this remarkable radical reaction.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Metal-Free Chemoselective Oxidative Dehomologation or Direct Oxidation of Alcohols: Implication for Biomass Conversion

A transition metal-free, chemoselective reaction was performed using the sodium tert-butoxide-oxygen (NaOtBu-O2) system, resulting in either oxidative dehomologation or direct oxidation of alcohols. In particular, the newly developed protocol may be used to predict the major product formed, which depends on alkyl chain length of the alcohols and reaction conditions. The rational mechanism of this transformation was also demonstrated by performing an 18O isotopic labelling experiment. This protocol presents a straightforward method for biomass conversion of a lignin model compound to phenol and benzoic acid.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem