7-Methoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole | 859392-89-5

• 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: 7-Methoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole
• CAS: 859392-89-5
• 化学式: C₂₈H₂₈N₂O₂S
• 分子量: 456.609
• InChiKey: GXRHDPAQGAASEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.54
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26.63
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-Methoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole 在 乙硫醇钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 10-[[4-(2-Pyrrolidin-1-ylethoxy)phenyl]methyl]-[1]benzothiolo[3,2-b]indol-7-ol
  参考文献：
  名称：

  Benzothieno[3,2-b]indole derivatives as potent selective estrogen receptor modulators

  摘要：

  A series of estrogen receptor ligands based on benzothieno[3,2-b]indole were synthesized and their binding affinity for estrogen receptor subtypes (ER alpha and ER beta) and effects on mouse uterus and bone were evaluated. Some of these compounds showed strong binding affinity to ER and significantly increased the bone mineral density of ovariectomized mice. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.111
• 作为产物：
  描述：

  4-(2-溴乙氧基)苯甲醛 在 盐酸 、 sodium tetrahydroborate 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-Methoxy-10-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole
  参考文献：
  名称：

  Benzothieno[3,2-b]indole derivatives as potent selective estrogen receptor modulators

  摘要：

  A series of estrogen receptor ligands based on benzothieno[3,2-b]indole were synthesized and their binding affinity for estrogen receptor subtypes (ER alpha and ER beta) and effects on mouse uterus and bone were evaluated. Some of these compounds showed strong binding affinity to ER and significantly increased the bone mineral density of ovariectomized mice. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.111