1-ethynyl-4-(2-methoxyethoxy)benzene | 1110653-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-ethynyl-4-(2-methoxyethoxy)benzene
• 英文别名: 4-methoxyethoxyphenyl acetylene；4-(2-methoxyethoxy)phenylacetylene
• CAS: 1110653-21-8
• 化学式: C₁₁H₁₂O₂
• 分子量: 176.215
• InChiKey: WQUYKGMOCOADDI-UHFFFAOYSA-N

物化性质

• 沸点：
  264.5±25.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethynyl-4-(2-methoxyethoxy)benzene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 palladium 10% on activated carbon 、 氢气 、 二乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 40.0~100.0 ℃ 、303.99 kPa 条件下， 反应 0.5h， 生成 5-(4-(2-methoxyethoxy)phenethyl)-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one
  参考文献：
  名称：

  6-alkylsalicylates are selective Tip60 inhibitors and target the acetyl-CoA binding site

  摘要：

  Histone acetyltransferases are important enzymes that regulate various cellular functions, such as epigenetic control of DNA transcription. Development of HAT inhibitors with high selectivity and potency will provide powerful mechanistic tools for the elucidation of the biological functions of HATs and may also have pharmacological value for potential new therapies. In this work, analogs of the known HAT inhibitor anacardic acid were synthesized and evaluated for inhibition of HAT activity. Biochemical assays revealed novel anacardic acid analogs that inhibited the human recombinant enzyme Tip60 selectively compared to PCAF and p300. Enzyme kinetics studies demonstrated that inhibition of Tip60 by one such novel anacardic acid derive, 20, was essentially competitive with Ac-CoA and non-competitive with the histone substrate. In addition, these HAT inhibitors effectively inhibited acetyltransferase activity of nuclear extracts on the histone H3 and H4 at micromolar concentrations. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.001
• 作为产物：
  描述：

  1-溴-4-(2-甲氧基乙氧基)苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 二乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 1.0h， 生成 1-ethynyl-4-(2-methoxyethoxy)benzene
  参考文献：
  名称：

  6-alkylsalicylates are selective Tip60 inhibitors and target the acetyl-CoA binding site

  摘要：

  Histone acetyltransferases are important enzymes that regulate various cellular functions, such as epigenetic control of DNA transcription. Development of HAT inhibitors with high selectivity and potency will provide powerful mechanistic tools for the elucidation of the biological functions of HATs and may also have pharmacological value for potential new therapies. In this work, analogs of the known HAT inhibitor anacardic acid were synthesized and evaluated for inhibition of HAT activity. Biochemical assays revealed novel anacardic acid analogs that inhibited the human recombinant enzyme Tip60 selectively compared to PCAF and p300. Enzyme kinetics studies demonstrated that inhibition of Tip60 by one such novel anacardic acid derive, 20, was essentially competitive with Ac-CoA and non-competitive with the histone substrate. In addition, these HAT inhibitors effectively inhibited acetyltransferase activity of nuclear extracts on the histone H3 and H4 at micromolar concentrations. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.11.001

文献信息

• Heterocyclic Carbamate Derivatives, Their Manufacture And Use As Pharmaceutical Agents
  申请人：Honold Konrad

  公开号：US20080009492A1

  公开（公告）日：2008-01-10

  Objects of the present invention are the compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式I的化合物，它们的药学上可接受的盐、对映体形式、二对映异构体和消旋体，上述化合物的制备，含有它们的药物以及其制造，以及上述化合物在控制或预防癌症等疾病中的应用。
• BTK抑制剂及其用途
  申请人：广东东阳光药业有限公司

  公开号：CN107344940B

  公开（公告）日：2020-04-21

  本发明公开了BTK抑制剂及其用途，具体地，本发明提供一类杂芳化合物或其立体异构体、几何异构体、互变异构体、消旋体、氮氧化物、水合物、溶剂化物、代谢产物、药学上可接受的盐或前药，以及包含本发明化合物的药物组合物；本发明还公开了本发明化合物或其药物组合物在制备药物中的用途，该药物用于治疗自体免疫疾病、炎性疾病或增殖性疾病。
• Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents
  申请人：Honold Konrad

  公开号：US20080039460A1

  公开（公告）日：2008-02-14

  Objects of the present invention are the compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式I的化合物及其药学上可接受的盐、对映体形式、二对映异构体和混合物，上述化合物的制备，含有它们的药物以及其制造，以及利用上述化合物在控制或预防癌症等疾病中的用途。
• Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics
  作者：Shigeyuki Yamada、Masaya Sato、Eiji Uto、Mitsuki Kataoka、Masato Morita、Tsutomu Konno

  DOI：10.1039/d1nj05822c

  日期：——

  such as those in luminescence sensors and organic light-emitting devices. However, tolane derivatives are non-fluorescent in solution because of their immediate internal conversion from ππ* to dark πσ* excited states with a trans-bend structural shape. We focused on the development of tolane-based fluorescent molecules and found that the incorporation of fluorine atoms into one aromatic ring of tolane

  像甲苯磺酸这样的小荧光分子有利于广泛的应用，例如在发光传感器和有机发光器件中的应用。然而，甲苯衍生物在溶液中是非荧光的，因为它们会立即从 ππ* 内部转换为具有反式的暗 πσ* 激发态。-弯曲结构形状。我们专注于甲苯基荧光分子的开发，发现由于电子密度分布和分子间氢键形成的刚性分子聚集结构，将氟原子掺入甲苯环的一个芳环有助于荧光发射。然后，我们专注于分子调制，特别是引入不影响电子密度分布的柔性单元的分支结构；这可以增加两个甲苯之间的界面距离，以通过能量转移抑制非辐射过程。发现氟化甲苯在稀溶液中以相对较弱的光致发光 (PL) 效率发光，而发现环状柔性单元，例如四氢呋喃环，是柔性单元在结晶状态下表现出强烈的 PL 且具有高 PL 效率的最佳结构。此外，发现带有环状柔性单元的氟化甲苯基荧光团表现出聚集诱导的发射增强特性。这项研究的结果提供了一种新的分子设计策略来开发基于强固态甲苯的发光体。
• Heterocyclic benzylamino derivatives, their manufacture and use as pharmaceutical agents
  申请人：Boyd Edward

  公开号：US20100120840A1

  公开（公告）日：2010-05-13

  Objects of the present invention are the compounds of formula (I) their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式(I)化合物及其药学上可接受的盐、对映体、非对映异构体和外消旋体，上述化合物的制备，含有它们的制药组合物及其制造，以及上述化合物在控制或预防癌症等疾病中的应用。