methyl 2-(3-aminopropyl)-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate;chloride | 864270-03-1

• 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: methyl 2-(3-aminopropyl)-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate;chloride
• CAS: 864270-03-1
• 化学式: C₂₁H₂₂N₃O₂*Cl
• 分子量: 383.878
• InChiKey: LUITZIWVDAETHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  67.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-琥珀酰亚胺基 N-甲基氨基甲酸酯 、 methyl 2-(3-aminopropyl)-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate;chloride 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以79%的产率得到methyl 11-methyl-2-[3-(methylcarbamoylamino)propyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate;chloride
  参考文献：
  名称：

  Synthesis and in vitro antitumor activity of novel 2-alkyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium and 2-alkylellipticin-2-ium chloride derivatives

  摘要：

  Twenty-one types of novel ellipticine derivatives and pyridocarbazoles (5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazoles) with a nitrosourea moiety, linked by an oxydiethylene unit at the 2 position, were synthesized, and their cytotoxicity against HeLa S-3 cells was evaluated. Some of these new compounds exhibited potent antitumor activity by comparison with that of ellipticine. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.032
• 作为产物：
  描述：

  Methyl 11-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrido[4,3-b]carbazole-5-carboxylate;hydrochloride 在 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以95%的产率得到methyl 2-(3-aminopropyl)-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate;chloride
  参考文献：
  名称：

  Synthesis and in vitro antitumor activity of novel 2-alkyl-5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazol-2-ium and 2-alkylellipticin-2-ium chloride derivatives

  摘要：

  Twenty-one types of novel ellipticine derivatives and pyridocarbazoles (5-methoxycarbonyl-11-methyl-6H-pyrido[4,3-b]carbazoles) with a nitrosourea moiety, linked by an oxydiethylene unit at the 2 position, were synthesized, and their cytotoxicity against HeLa S-3 cells was evaluated. Some of these new compounds exhibited potent antitumor activity by comparison with that of ellipticine. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.05.032