3,3-Bis-[4-(tert-butyl-dimethyl-silanyloxy)-3,5-dimethyl-phenyl]-1,3-dihydro-indol-2-one | 604803-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3,3-Bis-[4-(tert-butyl-dimethyl-silanyloxy)-3,5-dimethyl-phenyl]-1,3-dihydro-indol-2-one
• 英文别名: 3,3-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]-1H-indol-2-one
• CAS: 604803-43-2
• 化学式: C₃₆H₅₁NO₃Si₂
• 分子量: 601.977
• InChiKey: QTAYHAVOUVDDOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.97
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-Bis-[4-(tert-butyl-dimethyl-silanyloxy)-3,5-dimethyl-phenyl]-1,3-dihydro-indol-2-one 在 copper diacetate 、 4 A molecular sieve 、 TEA 、 四丁基氟化铵 作用下， 生成 3,3-Bis-(4-hydroxy-3,5-dimethyl-phenyl)-1-o-tolyl-1,3-dihydro-indol-2-one
  参考文献：
  名称：

  3,3-Bisaryloxindoles as mineralocorticoid receptor antagonists

  摘要：

  Syntheses and SAR studies of 3,3-bisaryloxindole analogues provided potent mineral ocorticoid receptor (MR) antagonists that were selective over other steroid nuclear hormone receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.086
• 作为产物：
  描述：

  2,6-二甲基苯酚 在 咪唑 、 三氯化铝 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,3-Bis-[4-(tert-butyl-dimethyl-silanyloxy)-3,5-dimethyl-phenyl]-1,3-dihydro-indol-2-one
  参考文献：
  名称：

  3,3-Bisaryloxindoles as mineralocorticoid receptor antagonists

  摘要：

  Syntheses and SAR studies of 3,3-bisaryloxindole analogues provided potent mineral ocorticoid receptor (MR) antagonists that were selective over other steroid nuclear hormone receptors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.086

文献信息

• Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators
  申请人：Grese Alan Timothy

  公开号：US20050054712A1

  公开（公告）日：2005-03-10

  he present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation, particularly congestive heart failure, comprising administering to a patient in need thereof an effective amount of a compound of the formula: I or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula I, including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula I.

  本发明涉及治疗易受类固醇激素核受体调节影响的病理障碍的方法，特别是充血性心力衰竭，包括向需要治疗的患者施用公式I的化合物或其药学上可接受的盐的有效量。此外，本发明提供了公式I的新型药物化合物，包括其药学上可接受的盐，以及包含公式I化合物作为活性成分的药物组合物。
• 3,3-Bisaryloxindoles as mineralocorticoid receptor antagonists
  作者：David A. Neel、Matthew L. Brown、Peter A. Lander、Timothy A. Grese、Jean M. Defauw、Robert A. Doti、Todd Fields、Sally Ann Kelley、Stephon Smith、Karen M. Zimmerman、Mitchell I. Steinberg、Prabhakar K. Jadhav

  DOI：10.1016/j.bmcl.2005.03.086

  日期：2005.5

  Syntheses and SAR studies of 3,3-bisaryloxindole analogues provided potent mineral ocorticoid receptor (MR) antagonists that were selective over other steroid nuclear hormone receptors. (c) 2005 Elsevier Ltd. All rights reserved.