1'-[(5-chlorothiophen-2-yl)methyl]-5,6-dimethoxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one | 1393826-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 1'-[(5-chlorothiophen-2-yl)methyl]-5,6-dimethoxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
• CAS: 1393826-17-9
• 化学式: C₂₂H₁₈ClNO₄S
• 分子量: 427.908
• InChiKey: UPWKPDDBARPPBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 三丁基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 1'-[(5-chlorothiophen-2-yl)methyl]-5,6-dimethoxyspiro[2H-1-benzofuran-3,3'-indole]-2'-one
  参考文献：
  名称：

  Tetracyclic spirooxindole blockers of hNaV1.7: activity in vitro and in CFA-induced inflammatory pain model

  摘要：

  The structure-activity relationship of a new series of tetracyclic spirooxindoles led to the discovery of compound 25a, a potent hNa(V)1.7 blocker with improved ADME properties and in vivo efficacy in the CFA-induced inflammatory pain model.

  DOI：

  10.1007/s00044-012-0180-1

文献信息

• Tetracyclic spirooxindole blockers of hNaV1.7: activity in vitro and in CFA-induced inflammatory pain model
  作者：Sultan Chowdhury、Shifeng Liu、Jay A. Cadieux、Tom Hsieh、Mikhail Chafeev、Shaoyi Sun、Qi Jia、Jianyu Sun、Mark Wood、Jonathan Langille、Serguei Sviridov、Jianmin Fu、Zaihui Zhang、Ray Chui、Audrey Wang、Xing Cheng、Jing Zhong、Sazzad Hossain、Kuldip Khakh、Ivana Rajlic、Henry Verschoof、Rainbow Kwan、Wendy Young

  DOI：10.1007/s00044-012-0180-1

  日期：2013.4

  The structure-activity relationship of a new series of tetracyclic spirooxindoles led to the discovery of compound 25a, a potent hNa(V)1.7 blocker with improved ADME properties and in vivo efficacy in the CFA-induced inflammatory pain model.