4,5,6,7-Tetrahydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester | 727988-94-5

• 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: 4,5,6,7-Tetrahydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester
• CAS: 727988-94-5
• 化学式: C₁₄H₁₅NO₂
• 分子量: 229.279
• InChiKey: MOJXWXJPOLQNEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  31.23
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4,5,6,7-Tetrahydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 6-(hydroxymethyl)-4,5,6,7-tetrahydroazepino[3,2,1-hi]indole
  参考文献：
  名称：

  Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,7-annulated indolocarbazoles 2 and 16 is described. These compounds were found to be potent cyclin dependent kinase inhibitors with good antiproliferative activity against two human carcinoma cell lines. These inhibitors also arrested tumor cells at the G1 phase and inhibited pRb phosphorylation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.033
• 作为产物：
  描述：

  4,5-Dihydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 以100%的产率得到4,5,6,7-Tetrahydro-azepino[3,2,1-hi]indole-6-carboxylic acid methyl ester
  参考文献：
  名称：

  Synthesis of 1,7-annulated indoles and their applications in the studies of cyclin dependent kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,7-annulated indolocarbazoles 2 and 16 is described. These compounds were found to be potent cyclin dependent kinase inhibitors with good antiproliferative activity against two human carcinoma cell lines. These inhibitors also arrested tumor cells at the G1 phase and inhibited pRb phosphorylation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.033