4,4'-(azanediylbis(ethane-2,1-diyl))diphenol | 702695-10-1

• 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: 4,4'-(azanediylbis(ethane-2,1-diyl))diphenol
• 英文别名: 4,4'-(2,2'-azanediylbis(ethane-2,1-diyl))diphenol；4,4'-(3-aza-pentanediyl)-di-phenol；4,4'-(3-Aza-pentandiyl)-di-phenol；Bis-(4-oxy-β-phenaethyl)-amin；4.4'-Dioxy-di-β-phenaethylamin；4-[2-[2-(4-Hydroxyphenyl)ethylamino]ethyl]phenol
• CAS: 702695-10-1
• 化学式: C₁₆H₁₉NO₂
• 分子量: 257.332
• InChiKey: ICHDIEUAVCXEHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  190 °C
• 沸点：
  465.1±30.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4'-(azanediylbis(ethane-2,1-diyl))diphenol 生成 N,N-bis-(4-benzoyloxy-phenethyl)-benzamide
  参考文献：
  名称：

  v. Braun; Blessing, Chemische Berichte, 1923, vol. 56, p. 2156

  摘要：

  DOI：
• 作为产物：
  描述：

  对氨基苯乙腈 在 1,2,3,4-四氢萘 、 镍 作用下， 生成 4,4'-(azanediylbis(ethane-2,1-diyl))diphenol
  参考文献：
  名称：

  v. Braun; Blessing, Chemische Berichte, 1923, vol. 56, p. 2156

  摘要：

  DOI：

文献信息

• Modelling Conformational Flexibility in a Spectrally Addressable Molecular Multi‐Qubit Model System
  作者：Ciarán J. Rogers、Deepak Asthana、Adam Brookfield、Alessandro Chiesa、Grigore A. Timco、David Collison、Louise S. Natrajan、Stefano Carretta、Richard E. P. Winpenny、Alice M. Bowen

  DOI：10.1002/anie.202207947

  日期：2022.11.7

  Systems with weak dipolar interactions have the potential to be used for molecular quantum computing. Orientation selective pulsed EPR was used to model the conformational flexibility of a molecular multi-qubit model system. Spectrally addressable centres allowed for the individual manipulation of each spin qubit, while differing relaxation dynamics resulted in a proposed handle for the implementation

  具有弱偶极相互作用的系统有潜力用于分子量子计算。方向选择性脉冲 EPR 用于模拟分子多量子位模型系统的构象灵活性。光谱可寻址中心允许对每个自旋量子位进行单独操作，而不同的弛豫动力学则产生了用于实现量子算法的提议处理。
• Rosenmund; Pfankuch, Chemische Berichte, 1923, vol. 56, p. 2261
  作者：Rosenmund、Pfankuch

  DOI：——

  日期：——
• Structure−Activity Relationships and Cancer-Cell Selective Toxicity of Novel Inhibitors of Glioma-Associated Oncogene Homologue 1 (Gli1) Mediated Transcription
  作者：Neeraj Mahindroo、Michele C. Connelly、Chandanamali Punchihewa、Hiromichi Kimura、Matthew P. Smeltzer、Song Wu、Naoaki Fujii

  DOI：10.1021/jm900106f

  日期：2009.7.23

  We report novel inhibitors of Gli1-mediated transcription as potential anticancer agents. Focused chemical libraries were designed and assessed for inhibition of functional cell-based Gli1-mediated transcription and selective toxicity toward cancer cells. The SAR was revealed, and the selectivity of the lead compounds' inhibition of Gli1-mediated transcription over that of Gli2 was determined. Compound 63 (NMDA298-1), which inhibited Gli1-mediated transcription in C3H10T1/2 cells with all IC50 of 6.9 mu M, showed 3-fold selectivity for inhibiting transcription mediated by Gli1 over that by Gli2. Cell-viability assays were performed to evaluate the chemical library in a normal cell line and a panel of cancer cell lines with or without up-regulated expression of the Gli1 gene. These compounds decreased the viability of several cancer cell lines but were less active in the noncancerous BJ-hTERT cells.
• US4452808A
  申请人：——

  公开号：US4452808A

  公开（公告）日：1984-06-05