2,8-dimethoxy-N-(2-dimethylamino)ethyl-5,6-dihydrobenzoocarbazole | 181704-76-7

• 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: 2,8-dimethoxy-N-(2-dimethylamino)ethyl-5,6-dihydrobenzoocarbazole
• 英文别名: N-(2-Ethyl-dimethylamino)-2,8-dimethoxy-5,6-dihydrobenzocarbazole；2-(2,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethyl-ethanamine；2-(2,8-dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)-N,N-dimethylethanamine
• CAS: 181704-76-7
• 化学式: C₂₂H₂₆N₂O₂
• 分子量: 350.461
• InChiKey: AIVYHRBBOCVCDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.6
• 氢给体数：
  0
• 氢受体数：
  3

上下游信息

反应信息

• 作为反应物：
  描述：

  2,8-dimethoxy-N-(2-dimethylamino)ethyl-5,6-dihydrobenzoocarbazole 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到2,8-dihydroxy-N-(2-dimethylamino)ethyl-5,6-dihydrobenzoocarbazole
  参考文献：
  名称：

  Design, synthesis and antitumoural activity of trisubstituted dihydrobenzo[a]carbazoles

  摘要：

  The design, synthesis, binding affinities for rabbit uterus estrogen receptors and in vivo action of two trisubstituted dihydrobenzo[a]carbazoles are reported. Relative binding affinities were similar to tamoxifen. In vivo studies in rats bearing NMU-induced mammary tumours indicate that tamoxifen (200 mu g sc daily) led to 51.6% tumour regression, ovariectomy to 54.4%, and derivatives 6 and 7 (200 mu g sc daily) to 50.0 and 54.8%, respectively. These experiments demonstrated that derivatives 6 and 7 are as effective as tamoxifen in the model studied.

  DOI：

  10.1016/0223-5234(96)88222-5
• 作为产物：
  描述：

  7-甲氧基-1-萘满酮 在 盐酸 、 sodium hydride 作用下， 以 乙醇 、 苯 为溶剂， 反应 40.0h， 生成 2,8-dimethoxy-N-(2-dimethylamino)ethyl-5,6-dihydrobenzoocarbazole
  参考文献：
  名称：

  Segall; Pappa; Pizzorno, Il Farmaco, 1996, vol. 51, # 7, p. 513 - 516

  摘要：

  DOI：

文献信息

• Segall; Pappa; Pizzorno, Il Farmaco, 1996, vol. 51, # 7, p. 513 - 516
  作者：Segall、Pappa、Pizzorno、Radice、Amoroso、Gutkind

  DOI：——

  日期：——
• Design, synthesis and antitumoural activity of trisubstituted dihydrobenzo[a]carbazoles
  作者：A Segall、H Pappa、R Casaubon、G Martin、R Bergoc、MT Pizzorno

  DOI：10.1016/0223-5234(96)88222-5

  日期：1995.1

  The design, synthesis, binding affinities for rabbit uterus estrogen receptors and in vivo action of two trisubstituted dihydrobenzo[a]carbazoles are reported. Relative binding affinities were similar to tamoxifen. In vivo studies in rats bearing NMU-induced mammary tumours indicate that tamoxifen (200 mu g sc daily) led to 51.6% tumour regression, ovariectomy to 54.4%, and derivatives 6 and 7 (200 mu g sc daily) to 50.0 and 54.8%, respectively. These experiments demonstrated that derivatives 6 and 7 are as effective as tamoxifen in the model studied.