2-(2-二甲基氨基乙氧基)-溴苯 | 886851-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(2-二甲基氨基乙氧基)-溴苯
• 中文别名: 2-(2-溴苯氧基)-N,N-二甲基乙胺
• 英文名称: 2-(2-bromophenoxy)-N,N-dimethylethanamine
• 英文别名: 2-Dimethylamino-1-<2-brom-phenoxy>-ethan；2-Dimethylamino-1-(2-brom-phenoxy)-ethan
• CAS: 886851-37-2
• 化学式: C₁₀H₁₄BrNO
• mdl: MFCD03719321
• 分子量: 244.131
• InChiKey: OUWAXRLVNYTZJK-UHFFFAOYSA-N

物化性质

• 沸点：
  281.6±20.0 °C(Predicted)
• 密度：
  1.309±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  2-(2-二甲基氨基乙氧基)-溴苯 、 苯硼酸 在 四(三苯基膦)钯 、 碳酸氢钠 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 20.0h， 以62%的产率得到2-(biphenyl-2'-yloxy)-N,N-dimethylethylamine
  参考文献：
  名称：

  SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling

  摘要：

  Structure-activity relationships of a series of bis-arylic compounds, investigated as 5-HT7R ligands, are reported. The main structural modifications involved a central aryl moiety (phenyl, pyridine, diazine, triazine) and the nature and position of an amine-containing aliphatic chain. The affinity of the synthesized compounds (26 nM-10 mu M) was systematically correlated with other previously reported series of bis-arylic ligands and rationalized by a ligand-based pharmacophore approach. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.035
• 作为产物：
  描述：

  2-溴苯酚 、 二甲氨基氯乙烷盐酸 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以60%的产率得到2-(2-二甲基氨基乙氧基)-溴苯
  参考文献：
  名称：

  SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling

  摘要：

  Structure-activity relationships of a series of bis-arylic compounds, investigated as 5-HT7R ligands, are reported. The main structural modifications involved a central aryl moiety (phenyl, pyridine, diazine, triazine) and the nature and position of an amine-containing aliphatic chain. The affinity of the synthesized compounds (26 nM-10 mu M) was systematically correlated with other previously reported series of bis-arylic ligands and rationalized by a ligand-based pharmacophore approach. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.01.035

文献信息

• [EN] MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING<br/>[FR] MODULATEURS DE LIAISON PROTÉINIQUE DE CORÉGULATION DE RÉCEPTEUR NUCLÉAIRE
  申请人：UNIV NORTHEASTERN

  公开号：WO2009117739A1

  公开（公告）日：2009-09-24

  Disclosed are novel compounds and compositions for inhibition of androgen and estrogen receptor signaling, methods for inhibiting androgen signaling, methods for inhibiting estrogen signaling, methods for inhibiting the interaction between a co-regulatory protein and an androgen or estrogen receptor, and methods for treating cancer.

  揭示了用于抑制雄激素和雌激素受体信号传导的新化合物和组合物，用于抑制雄激素信号传导的方法，用于抑制雌激素信号传导的方法，用于抑制共调节蛋白与雄激素或雌激素受体相互作用的方法，以及用于治疗癌症的方法。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013029338A1

  公开（公告）日：2013-03-07

  Disclosed are novel retinoid-related orphan receptor gamma (RORy) modulators and their use in the treatment of diseases mediated by RORy.

  揭示了一种新型的视黄醇相关孤儿受体γ（RORγ）调节剂，以及它们在治疗由RORγ介导的疾病中的用途。
• MODULATORS OF NUCLEAR RECEPTOR CO-REGULATORY PROTEIN BINDING
  申请人：Hanson Robert N.

  公开号：US20110105608A1

  公开（公告）日：2011-05-05

  Disclosed are novel compounds and compositions for inhibition of androgen and estrogen receptor signaling, methods for inhibiting androgen signaling, methods for inhibiting estrogen signaling, methods for inhibiting the interaction between a co-regulatory protein and an androgen or estrogen receptor, and methods for treating cancer.

  本发明涉及一种新型化合物和组合物，用于抑制雄激素和雌激素受体信号传导，抑制雄激素信号传导的方法，抑制雌激素信号传导的方法，抑制共同调节蛋白与雄激素或雌激素受体之间相互作用的方法，以及治疗癌症的方法。
• [EN] PROCESS FOR PREPARING TRI-ARYL-ALKYLALKENES<br/>[FR] PROCEDE DE PREPARATION DE TRI-ARYL-ALKYLALCENES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1999002509A1

  公开（公告）日：1999-01-21

  (EN) A process for preparing tri-arylalkylalkenes of formula (I) wherein Ar1, Ar2 and Ar3 can be the same or different aromatic groups. R1 is alkyl or substituted alkyl, by heating in a solvent a compound of the formula (II) wherein -COR2 is an acyl derivative.(FR) L'invention concerne un procédé de préparation de tri-aryl-alkylalcènes représentés par la formule générale (I). On obtient ces tri-aryl-alkylalcènes en chauffant dans un solvant un composé représenté par la formule spécifique (II). Dans la formule générale (I), Ar1, Ar2 et Ar3 peuvent être des groupes aromatiques identiques ou différents. R1 est alkyle ou alkyle substitué. Dans la formule spécifique (II), -COR2 est un dérivé acyle.
• SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling
  作者：Eduard Badarau、Ryszard Bugno、Franck Suzenet、Andrzej J. Bojarski、Adriana-Luminita Finaru、Gérald Guillaumet

  DOI：10.1016/j.bmc.2010.01.035

  日期：2010.3

  Structure-activity relationships of a series of bis-arylic compounds, investigated as 5-HT7R ligands, are reported. The main structural modifications involved a central aryl moiety (phenyl, pyridine, diazine, triazine) and the nature and position of an amine-containing aliphatic chain. The affinity of the synthesized compounds (26 nM-10 mu M) was systematically correlated with other previously reported series of bis-arylic ligands and rationalized by a ligand-based pharmacophore approach. (C) 2010 Elsevier Ltd. All rights reserved.