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4,4'-二甲氧基苯酚酯

4,4'-二甲氧基苯酚酯用途

4,4'-Dimethoxybenzil 是一种人肠胃羧基酯酶 (hCECE) 抑制剂，K_i 为 70 nM。

4,4'-二甲氧基苯酚酯名称

[ CAS 号 ]:
1226-42-2

[ 中文名 ]:
4,4′-二甲氧基苯偶酰

[ 英文名 ]:
4,4'-Dimethoxybenzil

[中文别名 ]:

[英文别名 ]:

4,4′-Dimethoxybenzil
MFCD00008405
EINECS 214-960-5
4,4‘-Dimethoxybenzil
1,2-bis(4-methoxyphenyl)ethane-1,2-dione

4,4'-二甲氧基苯酚酯生物活性

[ 描述 ]:

4,4'-Dimethoxybenzil 是一种人肠胃羧基酯酶 (hCECE) 抑制剂,Ki 为 70 nM。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 癌症

[ 靶点 ]

Ki: 70 nM (hiCE)[1]

[体外研究]

通过减少伊立替康诱导的腹泻,hiCE抑制剂(例如,4,4'-二甲氧基苯偶酰,化合物8)可以改善伊立替康的抗癌功效。为了找到有效的hiCE抑制剂,已经提出了一种结合了来自hiCE结构的药效团模型及其配体的新的虚拟筛选方案[1]。

[参考文献]

[1]. GuoDong Zhang, et al. Predicting hiCE inhibitors based upon pharmacophore models derived from the receptor and its ligands. Science China Chemistry

[相关活性小分子]

4,4'-二甲氧基苯酚酯物理化学性质

[ 密度 ]:
1.183g/cm3

[ 沸点 ]:
442.2ºC at 760 mmHg

[ 熔点 ]:
132-134ºC(lit.)

[ 分子式 ]:
C₁₆H₁₄O₄

[ 分子量 ]:
270.28000

[ 闪点 ]:
197.5ºC

[ 精确质量 ]:
270.08900

[ PSA ]:
52.60000

[ LogP ]:
2.76940

[ 外观性状 ]:
黄色细结晶粉末

[ 蒸汽压 ]:
5.13E-08mmHg at 25°C

[ 折射率 ]:
1.566

[ 储存条件 ]:
室温，密封

4,4'-二甲氧基苯酚酯MSDS

4,4'-二甲氧基苯酚酯安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 危害码 (欧洲) ]:
Xi

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
22-24/25-36/37-26

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ 海关编码 ]:
2914509090

4,4'-二甲氧基苯酚酯合成路线

4,4'-二甲氧基苯酚酯上下游产品

4,4'-二甲氧基苯酚酯上游产品

4,4'-二甲氧基苯酚酯下游产品

4,4'-二甲氧基苯酚酯海关

[ 海关编码 ]: 2914509090

[ 中文概述 ]:
2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

4,4'-二甲氧基苯酚酯文献

Preparation and evaluation of nickelmesogen for micropacked gas chromatography.

J. Chromatogr. A. 1043(2) , 255-63, (2004)

The preparation and mesomorphic properties of a substituted bis(dithiolene)nickel complex derived from 4, 4'-dimethoxybenzil are reported. The phase transition temperatures were based on data obtained...

Excited carbonyl formation in the combination and disproportionation of free radicals.

J. Biolumin. Chemilumin. 7(1) , 27-35, (1992)

The pyrolyisis of di-tert-butyl peroxyoxalate in the presence of para-substituted benzaldehydes produces almost quantitatively the corresponding p,p'-disubstituted benzils. The formation of these prod...

Diffuse X-ray scattering from 4,4'-dimethoxybenzil, C16H14O4: analysis via automatic refinement of a Monte Carlo model.

Acta Crystallogr. B 59(Pt 6) , 760-9, (2003)

A recently developed method for fitting a Monte Carlo computer-simulation model to observed single-crystal diffuse X-ray scattering has been used to study the diffuse scattering in 4,4'-dimethoxybenzi...

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