Category: quinuclidines

Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, Product Details of 4430-31-34430-31-3, Name is Octahydro-2H-chromen-2-one, SMILES is O=C1CCC2CCCCC2O1, belongs to quinuclidines compound. In a article, author is Gohlke, H, introduce new discover of the category.

3D QSAR analyses-guided rational design of novel ligands for the (alpha 4)(2)(beta 2)(3) nicotinic acetylcholine receptor

Three-dimensional quantitative structure-activity relationship methods, the comparative molecular field analysis (CoMFA) and the comparative molecular similarity indices analysis (CoMSIA), were applied using a training set of 45 ligands of the (alpha4)(2)(beta2)(3) nicotinic acetylcholine receptor (nAChR). All compounds are related to (-)-epibatidine, (-)-cytisine, (+)-anatoxin-a, and (-)-ferruginine, and additionally, novel diazabicyclo[4.2.1]nonane- and quinuclidin-2-ene-based structures were included. Their biological data have been determined by utilizing the same experimental protocol. Statistically reliable models of good predictive power (CoMFA r(2) = 0.928, q(2) = 0.692, no. of components = 3; CoMSIA r(2) = 0.899, q(2) = 0.701, no. of components = 3) were achieved. The results obtained were graphically interpreted in terms of field contribution maps. Hence, physicochemical. determinants of binding, such as steric and electrostatic and, for the first time, hydrophobic, hydrogen bond donor, and hydrogen bond acceptor properties, were mapped back onto the molecular structures of a set of nAChR modulators. In particular, changes in the binding affinity of the modulators as a result of modifications in the aromatic ring systems could be rationalized by the steric, electrostatic, hydrophobic, and hydrogen bond acceptor properties. These results were used to guide the rational design of new nAChR ligands such as 48-52 and 54, which were subsequently synthesized for the first time and tested. Key steps of our synthetic approaches were successfully applied Stille and Suzuki cross-coupling reactions. Predictive r(2) values of 0.614 and 0.660 for CoMFA and CoMSIA, respectively, obtained for 22 in part previously unknown ligands for the (alpha4)(2)(beta2)(3) subtype, demonstrate the high quality of the 3D QSAR models.

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. you can also check out more blogs about 4430-31-3. Product Details of 4430-31-3.

Reference:
Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider

Synthetic Route of 4457-71-0, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 4457-71-0, Name is 3-Methylpentane-1,5-diol, SMILES is OCCC(C)CCO, belongs to quinuclidines compound. In a article, author is Chen, Li-Zhuang, introduce new discover of the category.

Quininium tetrachloridozinc(II)

The asymmetric unit of the title compound {systematic name: 2-[hydroxy(6-methoxyquinolin-1-ium-4-yl)methyl]-8-vinyl-quinuclidin-1-ium tetrachloridozinc(II)}, (C20H26N2O2)[ZnCl4], consists of a double protonated quininium cation and a tetrachloridozinc(II) anion. The Zn-II ion is in a slightly distorted tetrahedral coordination environment. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot Cl and O-H center dot center dot center dot Cl hydrogen bonds.

Synthetic Route of 4457-71-0, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 4457-71-0.

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Quinuclidine – Wikipedia,
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The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Computed Properties of C11H21NO4, 13139-15-6, Name is Boc-L-Leucine, SMILES is CC(C)C[C@H](NC(OC(C)(C)C)=O)C(O)=O, in an article , author is Penthala, Narsimha Reddy, once mentioned of 13139-15-6.

(2Z,3E)-2-{[1-(4-Chlorobenzyl)-1H-indol-3-yl]methylidene}quinuclidin-3-one oxime

In the title compound, C23H22ClN3O, the benzene ring of the 4-chorobenzyl group makes a dihedral angle of 78.56 (6)degrees with the best plane of the indole ring. The double bond connecting the azabicyclic and indole groups adopts a Z geometry. The geometry adopted by the C=N bond with respect to the N-OH bond is trans. The absolute configuration of the compound was determined from refinement of the Flack parameter.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 13139-15-6, you can contact me at any time and look forward to more communication. Computed Properties of C11H21NO4.

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Quinuclidine – Wikipedia,
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Electric Literature of 68131-04-4, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 68131-04-4, Name is Sodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, SMILES is O=C([O-])C1C(C([O-])=O)C2C=CC1C2.[Na+].[Na+], belongs to quinuclidines compound. In a article, author is Ugawa, T, introduce new discover of the category.

Experimental model of escape phenomenon in hamsters and the effectiveness of YM-53601 in the model

1 The aim of this study was to establish an experimental model of the escape phenomenon, in which plasma cholesterol, initially reduced by a 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase inhibitor such as pravastatin, increases again on long-term administration. We also evaluated the efficacy of YM-53601 ((E)-2-[2-fluoro-2- (quinuclidin-3-ylidene) ethoxy]-9H-carbazole monohydrochloride), a squalene synthase inhibitor, in this model. 2 Pravastatin inhibited cholesterol biosynthesis in hamster primary hepatocytes (IC50, 14 nM). After pre-treatment with pravastatin, in contrast, almost no effect on cholesterol biosynthesis was seen. 3 In hamsters fed a high fat diet, 3 mg kg(-1) pravastatin for 9 days decreased plasma non-HDL cholesterol (total cholesterol-high density lipoprotein cholesterol) (P<0.01), but this effect was lost between 17 and 27 days of treatment, accompanied by an increase in HMG-CoA reductase activity. No such increase in plasma non-HDL cholesterol was seen with YM-53601 at 30 mg kg(-1) after 9 (P<0.001), 17 (P<0.01) or 27 (P<0.001) days of treatment. Replacement of pravastatin with YM-53601 caused a decrease in plasma non-HDL cholesterol by 53% (P<0.001) and in HMG-CoA reductase activity. 4 This animal model thus satisfactorily replicates the escape phenomenon observed in humans and may therefore be useful in evaluation of lipid-lowering agents, specifically comparison of HMG-CoA reductase inhibitors. Further, YM-53601 may be useful in the treatment of hypercholesterolemia without induction of the escape phenomenon. Electric Literature of 68131-04-4, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 68131-04-4.

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Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 6089-09-4, Name is 4-Pentynoic acid, molecular formula is , belongs to quinuclidines compound. In a document, author is Primozic, I, Formula: C5H6O2.

Interactions of chiral quinuclidin-3-yl benzoates with butyrylcholinesterase: kinetic study and docking simulations

Both enantiomers of quinuclidin-3-yl benzoate (RQBz and SQBz) were synthesized in order to examine the stereoselectivity of the hydrolysis of these esters catalyzed by horse serum butyrylcholinesterase (BChE). The hydrolysis of benzoylcholine (BzCh) was also studied in order to determine the influence of the alcohol part of the esters upon the kinetics. The k(cat) value for the substrates decreased in order BzCh > RQBz (4-fold slower) much greater than SQBz (76-fold slower reaction). K-M values determined for quinuclidinium substrates revealed that the binding affinity of RQBz (0.28 mm) is approximately 2-fold lower than that of SQBz (0.13 mM) towards BChE. From the ratio of the enantiomeric k(cat)/K-M values, an enantiomeric excess of 78% was calculated, indicating that the resolution of racemic quinuclidin-3-yl benzoate can be achieved by hydrolysis with BChE. The orientations of all the studied benzoate esters and butyrylcholine (BuCh) in the active site of human BChE were proposed by flexible ligand docking with AutoDock 3.0. Analyses of the Michaelis complexes obtained revealed that there are numerous similar close contacts in the active site. The main difference in binding of quinuclidinium and choline esters was found in the ammonium electrostatic region which includes cation-pi interaction of the ammonium moiety of substrates with the indole ring of Trp(84). The important cation-pi interaction with Trp(84) was lowest in the case of the S-enantiomer of QBz, which might be the main explanation for the slowest rate of hydrolysis of that compound. Copyright (C) 2002 John Wiley Sons, Ltd.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 6089-09-4, in my other articles. Formula: C5H6O2.

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Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 2386-54-1, Name is Sodium butane-1-sulfonate, molecular formula is C4H9NaO3S. In an article, author is Nomoto, F,once mentioned of 2386-54-1, HPLC of Formula: C4H9NaO3S.

A practical chemoenzymatic process to access (R)-quinuclidin-3-ol on scale

(+/-)-3-Butyryloxyquinuclidinium butyrate 6 (2 M, 571 g/L), prepared from (+/-)-quinuclidin-3-ol 1 and butyric anhydride, undergoes enantioselective hydrolysis by an Aspergillus melleus protease {1.0% (w/v)} in water in the presence of Ca(OH)(2) to keep the reaction at pH 7 and trap butyric acid that is introduced as part of (+/-)-6 and generated by the enzymatic hydrolysis. After a 24 h period, extraction with n-heptane provides (R)-quinuclidin-3-yl butyrate 5a, which, on methanolysis with Na2CO3, is converted into (R)-1, a common pharmacophore of neuromodulators acting on muscarinic receptors, in 96% ee and 42% overall yield from (+/-)-1. The unwanted antipode (S)-1, which is extracted into n-butanol and purified via its hydrochloride salt in 89% ee and 40% overall yield from (+/-)-1, can be racemized by the catalysis of Raney Co at 140degreesC under an atmosphere of H, (5 kg/cm(2)) to regenerate (+/-)-1 in 97% yield. (C) 2003 Elsevier Science Ltd. All rights reserved.

Interested yet? Keep reading other articles of 2386-54-1, you can contact me at any time and look forward to more communication. HPLC of Formula: C4H9NaO3S.

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Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider

Let¡¯s face it, organic chemistry can seem difficult to learn. Especially from a beginner¡¯s point of view. Like 6846-50-0, Name is 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate). In a document, author is Del Bello, Fabio, introducing its new discovery. Computed Properties of C16H30O4.

Novel muscarinic acetylcholine receptor hybrid ligands embedding quinuclidine and 1,4-dioxane fragments

To obtain novel muscarinic acetylcholine receptor (mAChR) antagonists, the enantiomers of the hybrid compounds 3-5, in which the quinuclidin-3-yloxy fragment of solifenacin and the 6,6-diphenyl-1,4dioxane-2-yl moiety of 2 linked by an ester or ether spacer were embedded in the same chemical entity, were prepared and evaluated for their affinity at the five mAChR subtypes (M-1-M-5). Stereochemistry and the nature of the linker between the quinuclidine moiety and the 1,4-dioxane nucleus play an important role on the affinities of the compounds. The presence of an ether bridge confers higher affinities for all mAChR subtypes to the ligand. Interestingly, the ether enantiomer (R,S)-5 shows the highest affinity at all mAChR subtypes with K-p(i) values similar to that of solifenacin at M-3 and higher at the other subtypes. Unlike solifenacin, it shows a preference for M-1 mAChR subtype with respect to the other subtypes. This compound, lacking a permanent positive charge on the nitrogen atom, can be a useful tool for the pharmacological study of mAChRs in the central nervous system. (C) 2017 Elsevier Masson SAS. All rights reserved.

I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 6846-50-0 help many people in the next few years. Computed Properties of C16H30O4.

Reference:
Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 1120-72-5, Name is 2-Methylcyclopentan-1-one, molecular formula is C6H10O, belongs to quinuclidines compound. In a document, author is Prishchenko, A. A., introduce the new discover, Quality Control of 2-Methylcyclopentan-1-one.

Addition of tris(trimethylsilyl) phosphite to quinuclidin-3-one and its carbocyclic analogs

Convenient methods of synthesis of functionalized phosphonic acids and their trimethylsilyl esters containing quinuclidine, adamantine, and bornane (camphane) moieties, involving reactions of tris(trimethylsilyl) phosphite with quinuclidin-3-one and its carbocyclic analogs.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 1120-72-5. Quality Control of 2-Methylcyclopentan-1-one.

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Quinuclidine – Wikipedia,
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Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.25265-77-4, Name is 2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate, SMILES is CC(C(C(C)(COC(C(C)C)=O)C)O)C.CC(C)C(OC(C(C)C)C(C)(C)CO)=O, belongs to quinuclidines compound. In a document, author is Brown, GR, introduce the new discover, HPLC of Formula: C12H24O3.

Novel optimised quinuclidine squalene synthase inhibitors

Optimised quinuclidine squalene synthase (SQS) inhibitors are reported; 3-[2-(2-allyl-4-(2-ethoxy carbonylethyl)phenyl)ethynyl]quinuclidin-3-ol 1c, is a potent inhibitor of rat (KI = 6 nM) and human (KI = 43 nM) microsomal SQS; the oral ED(50) of 1c, for the inhibition of rat cholesterol biosynthesis was 1.3+/-0.45 mg/kg and for the R-enantiomer 1m, 0.8+/-0.2 mg/kg, with the corresponding R-carboxylic acid 6a, being 0.9+/-0.25 mg/kg. (C) 1997 Elsevier Science Ltd. All rights reserved.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 25265-77-4 is helpful to your research. HPLC of Formula: C12H24O3.

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Quinuclidine – Wikipedia,
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Electric Literature of 147126-62-3, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 147126-62-3, Name is (2R,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate, SMILES is O=C(O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[C@@H]2O[C@H](CS2)O, belongs to quinuclidines compound. In a article, author is Zhou, Rong, introduce new discover of the category.

Visible-Light-Mediated Metal-Free Hydrosilylation of Alkenes through Selective Hydrogen Atom Transfer for Si-H Activation

Although there has been significant progress in the development of transition-metal-catalyzed hydrosilylations of alkenes over the past several decades, metal-free hydrosilylation is still rare and highly desirable. Herein, we report a convenient visible-light-driven metal-free hydrosilylation of both electron-deficient and electron-rich alkenes that proceeds through selective hydrogen atom transfer for Si-H activation. The synergistic combination of the organophotoredox catalyst 4CzIPN with quinuclidin-3-yl acetate enabled the hydrosilylation of electron-deficient alkenes by selective Si-H activation while the hydrosilylation of electron-rich alkenes was achieved by merging photoredox and polarity-reversal catalysis.

Electric Literature of 147126-62-3, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 147126-62-3.

Reference:
Quinuclidine – Wikipedia,
,Quinuclidine | C7H13N | ChemSpider