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beta1-Selective Adrenoceptor Antagonists. 2. 4-Ether-Linked Phenoxypropanolamines

A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity.Some of the compounds, especially the <4-<2-<<2-(4-fluorophenyl)ethyl>oxy>ethoxy>phenoxy>propanolamines (14, 15, and 24), showed potent beta1-blockade with virtually no beta2-blockade at doses over a 1000 times greater.The compounds also possessed partial agonist activity.Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.

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Reference£º
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Identification of a 4-fluorobenzyl L-valinate amide benzoxaborole (AN11736) as a potential development candidate for the treatment of Animal African Trypanosomiasis (AAT)

Novel L-valinate amide benzoxaboroles and analogues were designed and synthesized for a structure-activity-relationship (SAR) investigation to optimize the growth inhibitory activity against Trypanosoma congolense (T. congolense) and Trypanosoma vivax (T. vivax) parasites. The study identified 4-fluorobenzyl (1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-L-valinate (5, AN11736), which showed IC50 values of 0.15 nM against T. congolense and 1.3 nM against T. vivax, and demonstrated 100% efficacy with a single dose of 10 mg/kg against both T. congolense and T. vivax in mouse models of infection (IP dosing) and in the target animal, cattle, dosed intramuscularly. AN11736 has been advanced to early development studies.

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Reference£º
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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The catalytic potential of Coptis japonica NCS2 revealed – Development and utilisation of a fluorescamine-based assay ETI

The versatility and potential of a norcoclaurine synthase (NCS) from Coptis japonica NCS2 has been investigated, together with the development and application of a novel fluorescence-based high-throughput assay using nearly forty amines/aldehydes. The stereocontrol exerted by CjNCS2 on selected non-natural substrates has been determined, where the tetrahydroisoquinolines (THIAs) were formed as the (1S)-isomer in >95% ee, as observed with the natural product norcoclaurine. Docking calculations involving THIA mechanism intermediates, utilising the reported Thalictrum flavum NCS X-ray crystallographic structure, were carried out and combined with the CjNCS2 screening results to further understand the mode of action of NCS. These findings suggested that in addition to the key active-site residues K122 and E110, D141 is also mechanistically essential for the enzymatic transformation. The exceptional tolerance of NCS towards aldehyde substrates is furthermore supported by our proposed mechanism in which the aldehydes protrude out of the enzymatic pocket. Copyright

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Regioselective hydrosilylation of epoxides catalysed by nickel(II) hydrido complexes

Bench-stable nickel fluoride complexes bearing NNN pincer ligands have been employed as precursors for the regioselective hydrosilylation of epoxides at room temperature. A nickel hydride assisted epoxide opening is followed by the cleavage of the newly formed nickel oxygen bond by sigma-bond metathesis with a silane.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Related Products of 214894-89-0, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 214894-89-0, molcular formula is C9H9BrO2, introducing its new discovery.

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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Reference£º
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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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, 214894-89-0, name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, introducing its new discovery. HPLC of Formula: C9H9BrO2

Cyclohexanecarbonylic acid ethyl ester derivatives

A liquid crystal compound having a positive value of dielectric anisotropy and a low viscosity and being capable of extending the mesomorphic range of liquid crystal composition toward its lower region, and a liquid crystal composition containing the same are provided, which compound is a trans-4-substituted-cyclohexanecarboxylic acid beta-(4-halogenophenyl) ethyl ester derivative expressed by the general formula STR1 wherein R1 represents R2, STR2 wherein R2 represents an alkyl group or an alkoxy group, each having 1 to 15 carbons and X represents F or Cl.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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SUBSTITUTED PHENOXY-AMINOPROPANOLS

Substituted phenoxy-aminopropanols of the formula STR1 wherein R is a branched-chain alkyl of 3 or 4 carbon atoms, R 1 is hydrogen, halogen or lower alkyl and R 2 and R 3, independently, are hydrogen, halogen, lower alkyl, lower alkoxy or lower alkylthio, and pharmaceutically acceptable acid addition salts thereof, are described. A process for their preparation, as well as pharmaceutical preparations containing them are also described. The compounds of formula I and their salts possess cardioselective beta-adrenergic blocking activity and antihypertensive activity.

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, the role of 214894-89-0, and how the biochemistry of the body works.Computed Properties of C9H9BrO2

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, 214894-89-0, name is 5-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine, introducing its new discovery. Computed Properties of C9H9BrO2

Kinetics and Mechanism of the Arase-Hoshi R2BH-Catalyzed Alkyne Hydroboration: Alkenylboronate Generation via B-H/C-B Metathesis

The mechanism of R2BH-catalyzed hydroboration of alkynes by 1,3,2-dioxaborolanes has been investigated by in situ 19F NMR spectroscopy, kinetic simulation, isotope entrainment, single-turnover labeling (10B/2H), and density functional theory (DFT) calculations. For the Cy2BH-catalyzed hydroboration 4-fluorophenylacetylene by pinacolborane, the resting state is the anti-Markovnikov addition product ArCH = CHBCy2. Irreversible and turnover-rate limiting reaction with pinacolborane (k ? 7 ¡Á 10-3 M-1 s-1) regenerates Cy2BH and releases E-Ar-CH?CHBpin. Two irreversible events proceed in concert with turnover. The first is a Markovnikov hydroboration leading to regioisomeric Ar-C(Bpin)?CH2. This is unreactive to pinacolborane at ambient temperature, resulting in catalyst inhibition every ?102 turnovers. The second is hydroboration of the alkenylboronate to give ArCH2CH(BCy2)Bpin, again leading to catalyst inhibition. 9-BBN behaves analogously to Cy2BH, but with higher anti-Markovnikov selectivity, a lower barrier to secondary hydroboration, and overall lower efficiency. The key process for turnover is B-H/C-B metathesis, proceeding by stereospecific transfer of the E-alkenyl group within a transient, mu-B-H-B bridged, 2-electron-3-center bonded B-C-B intermediate.

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Reference£º
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Iron-Catalyzed Borrowing Hydrogen beta- C(sp3)-Methylation of Alcohols

Herein we report the iron-catalyzed beta-C(sp3)-methylation of primary alcohols using methanol as a C1 building block. This borrowing hydrogen approach employs a well-defined bench-stable (cyclopentadienone)iron(0) carbonyl complex as precatalyst (5 mol %) and enables a diverse selection of substituted 2-arylethanols to undergo beta-C(sp3)-methylation in good isolated yields (24 examples, 65% average yield).

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Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem

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Synthesis and immunosuppressant activity of pyrazole carboxamides

A series of novel pyrazole carboxamides sis disclosed that demonstrate strong immunosuppressant activity in rodent and human mixed leukocyte response (MLR) assays (IC50 < 1 muM). The synthesis, biological activity, mode of action, and pharmacokinetic properties of this new lead series are discussed. Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.SDS of cas: 214894-89-0, you can also check out more blogs about214894-89-0

Reference£º
Benzodioxan,
1,4-Benzodioxane | C8H8O2 – PubChem