ethyl 2-(5-isopropyl-2-methyl-1H-inden-3-yl)acetate | 1430230-23-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: ethyl 2-(5-isopropyl-2-methyl-1H-inden-3-yl)acetate
• 英文别名: ethyl 2-(2-methyl-6-propan-2-yl-3H-inden-1-yl)acetate
• CAS: 1430230-23-1
• 化学式: C₁₇H₂₂O₂
• 分子量: 258.36
• InChiKey: KTMOOWOKHZQABY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2-(5-isopropyl-2-methyl-1H-inden-3-yl)acetate 在 盐酸 、 水 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 (Z)-2-(5-isopropyl-2-methyl-1-(4-isopropylbenzylidene)-1H-inden-3-yl)acetic acid
  参考文献：
  名称：

  Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation

  摘要：

  RXR alpha represents an intriguing and unique target for pharmacologic interventions. We recently showed that Sulindac and a designed analog could bind to RXR alpha and modulate its biological activity, including inhibition of the interaction of an N-terminally truncated RXR alpha (tRXR alpha) with the p85 alpha regulatory subunit of phosphatidylinositol-3-OH kinase (PI3K). Here we report the synthesis, testing and SAR of a series of novel analogs of Sulindac as potential modulators for inhibiting tRXR alpha-dependent AKT activation. A new compound 30 was identified to have improved biological activity. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.012
• 作为产物：
  描述：

  (E)-3-(4-异丙基苯基)-2-甲基-丙-2-烯酸 在 硫酸 、 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， -78.0~80.0 ℃ 、1.01 MPa 条件下， 反应 44.5h， 生成 ethyl 2-(5-isopropyl-2-methyl-1H-inden-3-yl)acetate
  参考文献：
  名称：

  Synthesis and SAR study of modulators inhibiting tRXRα-dependent AKT activation

  摘要：

  RXR alpha represents an intriguing and unique target for pharmacologic interventions. We recently showed that Sulindac and a designed analog could bind to RXR alpha and modulate its biological activity, including inhibition of the interaction of an N-terminally truncated RXR alpha (tRXR alpha) with the p85 alpha regulatory subunit of phosphatidylinositol-3-OH kinase (PI3K). Here we report the synthesis, testing and SAR of a series of novel analogs of Sulindac as potential modulators for inhibiting tRXR alpha-dependent AKT activation. A new compound 30 was identified to have improved biological activity. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.01.012