ethyl 2-(1,1'-biphenyl-3,3'-disec-butyl-4'-[2-(dimethylamino)ethoxy]-4-oxy)acetate | 1188335-67-2

• 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: ethyl 2-(1,1'-biphenyl-3,3'-disec-butyl-4'-[2-(dimethylamino)ethoxy]-4-oxy)acetate
• 英文别名: Ethyl 2-[2-butan-2-yl-4-[3-butan-2-yl-4-[2-(dimethylamino)ethoxy]phenyl]phenoxy]acetate
• CAS: 1188335-67-2
• 化学式: C₂₈H₄₁NO₄
• 分子量: 455.638
• InChiKey: CVRPOVLDYXOPKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  33
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-(1,1'-biphenyl-3,3'-disec-butyl-4'-[2-(dimethylamino)ethoxy]-4-oxy)acetate 在 水 、 sodium hydroxide 作用下， 以72%的产率得到[3,3'-di-sec-butyl-4'-(2-dimethylaminoethoxy)biphenyl-4-yloxy]acetic acid
  参考文献：
  名称：

  Synthesis of Biphenyl Proteomimetics as Estrogen Receptor-α Coactivator Binding Inhibitors

  摘要：

  A novel series of biphenyl proteomimetic compounds were designed as estrogen receptor-alpha (ER alpha) coactivator binding Inhibitors. Synthesis was accomplished through a convergent approach, employing Suzuki coupling chemistry to ligate the Individual modular units. Initial biological results support the ability of these compounds to compete for the ER alpha coactivator binding groove.

  DOI：

  10.1021/ol901999f
• 作为产物：
  描述：

  2-仲丁基苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 tetra-N-butylammonium tribromide 、 sodium carbonate 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 氯仿 、 水 、 丙酮 为溶剂， 生成 ethyl 2-(1,1'-biphenyl-3,3'-disec-butyl-4'-[2-(dimethylamino)ethoxy]-4-oxy)acetate
  参考文献：
  名称：

  3,3′-Disubstituted bipolar biphenyls as inhibitors of nuclear receptor coactivator binding

  摘要：

  A series of bipolar biphenyl compounds was synthesized as proteomimetic analogs of the LXXLL pentapeptide motif responsible for the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were subjected to multiple in vitro assays to evaluate their effectiveness as competitive binding inhibitors. The results from this initial study indicate that these proteomimetics possess the ability to inhibit this protein-protein interaction. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.007

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。
• 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。
• Synthesis of Biphenyl Proteomimetics as Estrogen Receptor-α Coactivator Binding Inhibitors
  作者：Anna B. Williams、Patrick T. Weiser、Robert N. Hanson、Jillian R. Gunther、John A. Katzenellenbogen

  DOI：10.1021/ol901999f

  日期：2009.12.3

  A novel series of biphenyl proteomimetic compounds were designed as estrogen receptor-alpha (ER alpha) coactivator binding Inhibitors. Synthesis was accomplished through a convergent approach, employing Suzuki coupling chemistry to ligate the Individual modular units. Initial biological results support the ability of these compounds to compete for the ER alpha coactivator binding groove.
• 3,3′-Disubstituted bipolar biphenyls as inhibitors of nuclear receptor coactivator binding
  作者：Patrick T. Weiser、Anna B. Williams、Ching-Yi Chang、Donald P. McDonnell、Robert N. Hanson

  DOI：10.1016/j.bmcl.2012.09.007

  日期：2012.11

  A series of bipolar biphenyl compounds was synthesized as proteomimetic analogs of the LXXLL pentapeptide motif responsible for the binding of coactivator proteins to the nuclear hormone receptor coactivator binding domain. These compounds were subjected to multiple in vitro assays to evaluate their effectiveness as competitive binding inhibitors. The results from this initial study indicate that these proteomimetics possess the ability to inhibit this protein-protein interaction. (C) 2012 Elsevier Ltd. All rights reserved.