N-[3-(4-indolyloxy)-2-hydroxypropyl]-t-butylamine | 58880-58-3

• 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: N-[3-(4-indolyloxy)-2-hydroxypropyl]-t-butylamine
• 英文别名: 1-(tert-Butylamino)-3-[(1H-indol-4-yl)oxy]propan-2-ol；1-(tert-butylamino)-3-(1H-indol-4-yloxy)propan-2-ol
• CAS: 58880-58-3
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: RPZJJOMRCZUFEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  57.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[3-(4-indolyloxy)-2-hydroxypropyl]-t-butylamine 生成 吲哚洛尔
  参考文献：
  名称：

  MIYAGAKI, MITSUXIRO;MUKIATO, SINDZIRO;MURATA, REITI;NAMIKI, SIGEHO;ISOBEH+

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基吲哚 在 氢氧化钾 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 36.0h， 生成 N-[3-(4-indolyloxy)-2-hydroxypropyl]-t-butylamine
  参考文献：
  名称：

  A Wrench-Shaped Synthetic Molecule that Modulates a Transcription Factor−Coactivator Interaction

  摘要：

  Development of synthetic molecules that provide external control over the transcription of a given gene represents a challenge in medicinal and bioorganic chemistry. Here we report design and analysis of wrenchnolol, a wrench-shaped synthetic molecule that impairs the transcription of the Her2 oncogene by disrupting association of transcription factor ESX with its coactivator Sur-2. The "jaw" part of the compound mimics the alpha-helical interface of the activation domain of ESX, and the "handle" region accepts chemical modifications for a range of analysis. A water-soluble handle permitted NMR study in aqueous solution; a biotinylated handle verified the selectivity of the interaction, and a fluorescent handle confirmed the cell permeability of the compound. The case study of wrenchnolol foreshadows the promise and the challenge of targeting protein-protein interactions in the nucleus and may lead to the development of unique synthetic modulators of gene transcription.

  DOI：

  10.1021/ja038855+

文献信息

• Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage
  申请人：Stephenson T. Diane

  公开号：US20050080084A1

  公开（公告）日：2005-04-14

  The present invention provides compositions and methods for the treatment of central nervous system damage in a subject. More particularly, the invention provides a combination therapy for the treatment of a central nervous system ischemic condition or a central nervous system traumatic injury comprising the administration to a subject of a serotonin-modulating agent in combination with a cyclooxygenase-2 selective inhibitor.

  本发明提供了治疗受试者中枢神经系统损伤的组合物和方法。更具体地说，本发明提供了一种用于治疗中枢神经系统缺血性疾病或中枢神经系统创伤性损伤的组合疗法，该疗法包括向受试者施用血清素调节剂与环氧化酶-2 选择性抑制剂。
• MIYAGAKI, MITSUXIRO;MUKIATO, SINDZIRO;MURATA, REITI;NAMIKI, SIGEHO;ISOBEH+
  作者：MIYAGAKI, MITSUXIRO、MUKIATO, SINDZIRO、MURATA, REITI、NAMIKI, SIGEHO、ISOBEH+

  DOI：——

  日期：——
• A Wrench-Shaped Synthetic Molecule that Modulates a Transcription Factor−Coactivator Interaction
  作者：Hiroki Shimogawa、Youngjoo Kwon、Qian Mao、Yoshinori Kawazoe、Yongmun Choi、Shinichi Asada、Hideo Kigoshi、Motonari Uesugi

  DOI：10.1021/ja038855+

  日期：2004.3.1

  Development of synthetic molecules that provide external control over the transcription of a given gene represents a challenge in medicinal and bioorganic chemistry. Here we report design and analysis of wrenchnolol, a wrench-shaped synthetic molecule that impairs the transcription of the Her2 oncogene by disrupting association of transcription factor ESX with its coactivator Sur-2. The "jaw" part of the compound mimics the alpha-helical interface of the activation domain of ESX, and the "handle" region accepts chemical modifications for a range of analysis. A water-soluble handle permitted NMR study in aqueous solution; a biotinylated handle verified the selectivity of the interaction, and a fluorescent handle confirmed the cell permeability of the compound. The case study of wrenchnolol foreshadows the promise and the challenge of targeting protein-protein interactions in the nucleus and may lead to the development of unique synthetic modulators of gene transcription.