9-benzyloxy-7-methoxy-5,6-dihydrobenzo[c]acridine | 898252-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-benzyloxy-7-methoxy-5,6-dihydrobenzo[c]acridine
• CAS: 898252-82-9
• 化学式: C₂₅H₂₁NO₂
• 分子量: 367.447
• InChiKey: MVAQEQGVSYXCHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  31.35
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  9-benzyloxy-7-methoxy-5,6-dihydrobenzo[c]acridine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以79%的产率得到7-methoxy-5,6-dihydrobenzo[c]acridin-9-ol
  参考文献：
  名称：

  Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands

  摘要：

  A novel series of tetracyclic indoles have been designed, synthesized and evaluated as androgen receptor (AR) ligands. Studies of structure-activity relationships (SARs) were investigated, which led to some compounds in this series as strong binders to androgen receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.047
• 作为产物：
  描述：

  9-Benzyloxy-5,6,7,12-tetrahydro-benzo[6,7]cyclohepta[1,2-b]indole 在 air 、 potassium tert-butylate 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 9-benzyloxy-7-methoxy-5,6-dihydrobenzo[c]acridine
  参考文献：
  名称：

  Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands

  摘要：

  A novel series of tetracyclic indoles have been designed, synthesized and evaluated as androgen receptor (AR) ligands. Studies of structure-activity relationships (SARs) were investigated, which led to some compounds in this series as strong binders to androgen receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.047