2-[3-(3-imidazol-1-yl-propoxy)benzylidene]-indan-1-one | 929683-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-[3-(3-imidazol-1-yl-propoxy)benzylidene]-indan-1-one
• 英文别名: 2-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylidene]-3H-inden-1-one
• CAS: 929683-26-1
• 化学式: C₂₂H₂₀N₂O₂
• 分子量: 344.413
• InChiKey: KOUJXJAMOBSQEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-hydroxybenzylidene)-2, 3-dihydro-1H-inden-1-one 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 9.0h， 生成 2-[3-(3-imidazol-1-yl-propoxy)benzylidene]-indan-1-one
  参考文献：
  名称：

  Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy

  摘要：

  The synthesis and aromatase inhibitory activity of a new series of 2-benzylidene indanones is presented. The imidazolyl-substituted indanones displayed potent aromatase inhibitory activity. The vanilloid-based derivative 2-[4-(3-imidazol-1-ylpropoxy)-3-methoxybenzylidene]-indan-1-one (26) exhibited maximum inhibition of human placental aromatase and was found to be 54 times more potent as compared to aminoglutethimide.

  DOI：

  10.1007/s00044-010-9368-4

文献信息

• Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives
  申请人：Bansal Ranju

  公开号：US20090137541A1

  公开（公告）日：2009-05-28

  The present invention provides a novel series of imidazolyl substituted steroidal and indan-1-one derivatives and salts thereof having the following general structural formulae (A and B)

  本发明提供了一种新的咪唑基取代类固醇和茚环-1-酮衍生物及其盐，其具有以下一般结构式（A和B）。
• NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES
  申请人：Council of Scientific and Industrial Research

  公开号：EP1934241B1

  公开（公告）日：2012-11-14
• Synthesis of some imidazolyl-substituted 2-benzylidene indanone derivatives as potent aromatase inhibitors for breast cancer therapy
  作者：Ranju Bansal、Gaurav Narang、Christina Zimmer、Rolf W. Hartmann

  DOI：10.1007/s00044-010-9368-4

  日期：2011.7

  The synthesis and aromatase inhibitory activity of a new series of 2-benzylidene indanones is presented. The imidazolyl-substituted indanones displayed potent aromatase inhibitory activity. The vanilloid-based derivative 2-[4-(3-imidazol-1-ylpropoxy)-3-methoxybenzylidene]-indan-1-one (26) exhibited maximum inhibition of human placental aromatase and was found to be 54 times more potent as compared to aminoglutethimide.