![]() N-苄基咪唑结构式
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常用名 | N-苄基咪唑 | 英文名 | 1-benzylimidazole |
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CAS号 | 4238-71-5 | 分子量 | 158.20 | |
密度 | 1.0±0.1 g/cm3 | 沸点 | 310.0±11.0 °C at 760 mmHg | |
分子式 | C10H10N2 | 熔点 | 68-70 °C(lit.) | |
MSDS | 中文版 美版 | 闪点 | 141.3±19.3 °C |
Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins
Bioorg. Med. Chem. 17 , 896-904, (2009) This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the mole... |
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Toward prediction of alkane/water partition coefficients.
J. Med. Chem. 51 , 3720-30, (2008) Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the partitioning systems are not well represented in the literatu... |
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QSAR-based solubility model for drug-like compounds.
Bioorg. Med. Chem. 18 , 7078-84, (2010) Solubility plays a very important role in the selection of compounds for drug screening. In this context, a QSAR model was developed for predicting water solubility of drug-like compounds. First, a set of relevant parameters for establishing a drug-like chemi... |
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Rapid and sensitive analysis of microcystins using ionic liquid-based in situ dispersive liquid-liquid microextraction.
J. Chromatogr. A. 1406 , 10-8, (2015) Three structurally different ionic liquids (ILs), namely 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), 1-(6-hydroxyethyl)-3-methylimidazolium chloride ([HeOHMIM][Cl]) and 1-benzyl-3-(2-hydroxyethyl)imidazolium bromide ([BeEOHIM][Br]), were applied as ext... |
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Synthesis and spectroscopic studies on charge-transfer molecular complexes formed in the reaction of imidazole and 1-benzylimidazole with σ- and π-acceptors.
Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 79(5) , 1613-20, (2011) The spectrophotometric characteristics of the solid charge-transfer molecular complexes (CT) formed in the reaction of the electron donors imidazole (IML) and 1-benzylimidazole (BIML) with the σ-acceptor iodine and π-acceptors 2,3-dichloro-5,6-dicyano-1,4-ben... |
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Exploration of the diaphorase activity of neutrophil NADPH oxidase.
Eur. J. Biochem. 269(4) , 1243-52, (2002) In the O2- generating flavocytochrome b, the membrane-bound component of the neutrophil NADPH oxidase, electrons are transported from NADPH to O2 in the following sequence: NADPH --> FAD --> heme b -->O2. Although p-iodonitrotetrazolium (INT) has frequently b... |
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Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).
J. Med. Chem. 53 , 1712-25, (2010) Reducing aldosterone action is beneficial in various major diseases such as heart failure. Currently, this is achieved with mineralocorticoid receptor antagonists, however, aldosterone synthase (CYP11B2) inhibitors may offer a promising alternative. In this s... |
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Image-based high-throughput drug screening targeting the intracellular stage of Trypanosoma cruzi, the agent of Chagas' disease.
Antimicrob. Agents Chemother. 54 , 3326-34, (2010) Chagas' disease, caused by infection with the parasite Trypanosoma cruzi, is the major cause of heart failure in Latin America. Classic clinical manifestations result from the infection of heart muscle cells leading to progressive cardiomyopathy. To ameliorat... |
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Use of MEKC for the analysis of reactant and product of Baylis-Hillman reaction.
J. Sep. Sci. 32(9) , 1480-6, (2009) A facile, fast and high efficiency micellar EKC has been explored for the analysis and UV detection of p-nitrobenzaldehyde and 2-[hydroxy(4-nitrophenyl)methyl]-2-cyclopenten-1-one with a buffer electrolyte of 30.0 mM tetraborate and 50.0 mM sodium taurodeoxyc... |
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Intramolecular hydrogen bonding as a determinant of the inhibitory potency of N-unsubstituted imidazole derivatives towards mammalian hemoproteins.
Metallomics 1(2) , 148-56, (2009) Enzymes involved in the mammalian microsomal metabolism of drugs are, in numerous cases, inhibited by compounds bearing an imidazolyl scaffold. However, the inhibition potency is highly dependent upon the accessibility of the imidazolyl nitrogen lone pair. In... |