4-(2-(diethylamino)ethyl)phenol | 170962-05-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2-(diethylamino)ethyl)phenol
• 英文别名: 4-(2-diethylamino-ethyl)-phenol；4-(2-Diaethylamino-aethyl)-phenol；4-[2-(Diethylamino)ethyl]phenol
• CAS: 170962-05-7
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: SHUWMWRDVSEFQF-UHFFFAOYSA-N

物化性质

• 熔点：
  95 °C
• 沸点：
  178-181 °C(Press: 15 Torr)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴-5,6-二甲氧基-1-茚酮 、 4-(2-(diethylamino)ethyl)phenol 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以55.1%的产率得到2-(4-(2-(Diethylamino)ethyl)phenoxy)-5,6-dimethoxyindan-1-one
  参考文献：
  名称：

  2-Phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors: A study on the importance of modifications at the side chain on the activity

  摘要：

  As a part of our project aimed at developing new agents of potential application in AD, a new series of 2-phenoxy-indan-1-one derivatives which possess alkylamine side chain were designed, synthesized and evaluated for their inhibitory activity against AChE and BuChE. Most of the compounds were found to inhibit AChE in the nanomolar range. The optimum inhibitor 3g exhibited 34-fold increase in AChE inhibition than donepezil and displayed neuroprotective effect against H2O2-induced cell death. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.07.014
• 作为产物：
  描述：

  对甲氧基苯乙醇 在 氢碘酸 作用下， 生成 4-(2-(diethylamino)ethyl)phenol
  参考文献：
  名称：

  A New Synthesis of Hordenine and Other p-Dialkylaminoethylphenols and Some of Their Derivatives

  摘要：

  DOI：

  10.1021/ja01153a008

文献信息

• Design, synthesis, and biological evaluation of acetophenone derivatives as dual binding acetylcholinesterase inhibitors
  作者：Shen, Yanhong、Li, Baoli、Xu, Hu、Zhang, Guoqiang

  DOI：10.1691/ph.2013.2839

  日期：——

  As part of a project aimed at developing new agents for potential application in Alzheimer's disease, a new series of acetophenone derivatives which possess alkylamine side chains were designed, synthesized and assayed as acetylcholinesterase (AChE) inhibitors that could simultaneously bind to the peripheral and catalytic sites of the enzyme. The compounds were synthesized, and the inhibitory activities toward AChE and butyrylcholinesterase (BuChE) in vitro were determined using a modified Ellman method. Of the compounds tested, 6 derivatives were found to inhibit AChE in the micromolar range. The best compound, 2e, had an IC50 of 0.13 μM. A detailed molecular modeling study was performed to explore the interaction of 2e with AChE.

  作为一个旨在开发阿尔茨海默病潜在应用新药的项目，设计、合成并评估了一系列具有烷基胺侧链的乙酰苯酮衍生物，作为能同时结合酶的外周位点和催化位点的乙酰胆碱酯酶（AChE）抑制剂。这些化合物被合成，并使用改良的埃尔曼法确定其对AChE和丁酰胆碱酯酶（BuChE）的抑制活性。在测试的化合物中，发现有6种衍生物在微摩尔范围内抑制了AChE。最佳化合物2e的IC50为0.13 μM。进行了详细的分子建模研究，以探讨2e与AChE的相互作用。
• Design, Synthesis and Evaluation of Tacrine Based Acetylcholinesterase Inhibitors
  作者：Yanhong Shen、Youzhu Yu、Huichao Lv、Liping Feng、Guoqiang Zhang

  DOI：10.2174/157018010791163532

  日期：2010.6.1

  A series of tacrine based cholinesterase inhibitors was designed, synthesized and assayed for their biological activity. Among them, five compounds inhibited acetylcholinesterase in micromolar range and most of the compounds demonstrated much better selectivity for AChE than reference compound tacrine.

  我们设计、合成并检测了一系列基于他克林的胆碱酯酶抑制剂的生物活性。其中，5 种化合物对乙酰胆碱酯酶的抑制作用在微摩尔范围内，而且大多数化合物对乙酰胆碱酯酶的选择性远远优于参考化合物他克林。
• Methods and compositions for determining the sequence of nucleic acid molecules
  申请人：——

  公开号：US20020119456A1

  公开（公告）日：2002-08-29

  Methods and compounds, including compositions therefrom, are provided for determining the sequence of nucleic acid molecules. The methods permit the determination of multiple nucleic acid sequences simultaneously. The compounds are used as tags to generate tagged nucleic acid fragments which are complementary to a selected target nucleic acid molecule. Each tag is correlative with a particular nucleotide and, in a preferred embodiment, is detectable by mass spectrometry. Following separation of the tagged fragments by sequential length, the tags are cleaved from the tagged fragments. In a preferred embodiment, the tags are detected by mass spectrometry and the sequence of the nucleic acid molecule is determined therefrom. The individual steps of the methods can be used in automated format, e.g., by the incorporation into systems.

  本发明提供了用于确定核酸分子序列的方法和化合物，包括从中制备的组合物。该方法允许同时确定多个核酸序列。该化合物被用作标签，以生成与所选目标核酸分子互补的标记核酸片段。每个标签与特定的核苷酸相关联，在一种优选实施方式中，可以通过质谱法检测到。在按顺序长度分离标记片段后，标签从标记片段中被切除。在一种优选实施方式中，标签通过质谱法被检测，从而确定核酸分子的序列。该方法的各个步骤可以在自动化格式中使用，例如通过纳入系统中。
• LYCOPEN PRODUCTION METHOD
  申请人：Vitatene, S.A.

  公开号：EP1184464A2

  公开（公告）日：2002-03-06

  Process for the production of lycopene. The present invention refers to a new process of obtaining carotenoids, especially such as Blakeslea. A fermentation method is described which allows obtaining an increase in the production of lycopene, based on the addition of trisporic acids. The process is performed starting from wild strains or mutants of them, in single or mixed culture. The addition of trisporic acids can take place at the start of or during fermentation and their origin can be a partially purified preparation or a non-purified source of them.

  番茄红素的生产工艺。本发明涉及一种获得类胡萝卜素，特别是茄红素的新工艺。本发明描述了一种发酵方法，通过添加三孢子酸可以提高番茄红素的产量。发酵过程从野生菌株或其突变体开始，以单一或混合培养方式进行。三孢子酸的添加可以在发酵开始时或发酵过程中进行，其来源可以是部分纯化的制剂或非纯化的来源。
• Über neue und verbesserte Wege zum Aufbau von pharmakologisch wichtigen Aminen. XIV. Über die Synthese von lobelin-ähnlichen β-Phenyläthylaminen
  作者：Karl Kindler、Karl Schrader、Bernd Middelhoff

  DOI：10.1002/ardp.19502830306

  日期：——