1-Benzenesulfonyl-4-bromo-2-trimethylsilanyl-1H-indole | 460087-49-4

• 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: 1-Benzenesulfonyl-4-bromo-2-trimethylsilanyl-1H-indole
• 英文别名: [1-(Benzenesulfonyl)-4-bromoindol-2-yl]-trimethylsilane
• CAS: 460087-49-4
• 化学式: C₁₇H₁₈BrNO₂SSi
• 分子量: 408.391
• InChiKey: XHTVFNFTAJRYPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.19
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Benzenesulfonyl-4-bromo-2-trimethylsilanyl-1H-indole 在 sodium hydroxide 、 四(三苯基膦)钯 、 三氯化铝 、 potassium tert-butylate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 (E)-3-[1-Benzenesulfonyl-4-(2-butoxy-3,5-diisopropyl-phenyl)-1H-indol-2-yl]-but-2-enoic acid
  参考文献：
  名称：

  Design and synthesis of benzofused heterocyclic RXR modulators

  摘要：

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.03.073
• 作为产物：
  描述：

  三甲基氯硅烷 、 4-bromo-1-(phenylsulfonyl)-1H-indole 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以67%的产率得到1-Benzenesulfonyl-4-bromo-2-trimethylsilanyl-1H-indole
  参考文献：
  名称：

  Design and synthesis of benzofused heterocyclic RXR modulators

  摘要：

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.03.073

文献信息

• Design and synthesis of benzofused heterocyclic RXR modulators
  作者：D.L. Gernert、D.A. Neel、M.F. Boehm、M.D. Leibowitz、D.A. Mais、P.Y. Michellys、D. Rungta、A. Reifel-Miller、T.A. Grese

  DOI：10.1016/j.bmcl.2004.03.073

  日期：2004.6

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.