N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-2,6-dihydro-1H-pyrrolo[2,3-c]carbazole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide | 176539-83-6

• 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: N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-2,6-dihydro-1H-pyrrolo[2,3-c]carbazole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide
• CAS: 176539-83-6
• 化学式: C₃₃H₂₃ClN₄O₄
• 分子量: 575.023
• InChiKey: QHCZATZZVLDDRG-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  114
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-2,6-dihydro-1H-pyrrolo[2,3-c]carbazole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 以71%的产率得到N-[2-[(2R,4S)-9-oxo-6,11-diazapentacyclo[8.7.0.02,4.02,7.012,17]heptadeca-1(10),7,12,14,16-pentaene-6-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide
  参考文献：
  名称：

  Synthesis and Cytotoxicity of Various Structural Types of Novel Cyclopropapyrroloindole(CPI) Derivatives

  摘要：

  The various structural types of novel cyclopropapyrroloindole(CPI) derivatives (7 similar to 10) were synthesized and their cytotoxicity was evaluated. Among these derivatives, 3-methoxycarbonylCPI(3-MCCPI) derivatives (8a,b) and cyclopropapyrrolocarbazole (CPC) derivative (10a) were found to exhibit comparable cytotoxicity to U-73,975 (adozelesin) (1).

  DOI：

  10.3987/com-98-s21
• 作为产物：
  描述：

  tert-butyl (1S)-1-(chloromethyl)-5-hydroxy-2,6-dihydro-1H-pyrrolo[2,3-c]carbazole-3-carboxylate 在 盐酸 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-2,6-dihydro-1H-pyrrolo[2,3-c]carbazole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide
  参考文献：
  名称：

  Synthesis and Cytotoxicity of Various Structural Types of Novel Cyclopropapyrroloindole(CPI) Derivatives

  摘要：

  The various structural types of novel cyclopropapyrroloindole(CPI) derivatives (7 similar to 10) were synthesized and their cytotoxicity was evaluated. Among these derivatives, 3-methoxycarbonylCPI(3-MCCPI) derivatives (8a,b) and cyclopropapyrrolocarbazole (CPC) derivative (10a) were found to exhibit comparable cytotoxicity to U-73,975 (adozelesin) (1).

  DOI：

  10.3987/com-98-s21

文献信息

• Synthesis and Cytotoxicity of Various Structural Types of Novel Cyclopropapyrroloindole(CPI) Derivatives
  作者：Yasumichi Fukuda、Hirosuke Furuta、Yoshie Kusama、Hiroyuki Ebisu、Yasuo Oomori、Shiro Terashima

  DOI：10.3987/com-98-s21

  日期：——

  The various structural types of novel cyclopropapyrroloindole(CPI) derivatives (7 similar to 10) were synthesized and their cytotoxicity was evaluated. Among these derivatives, 3-methoxycarbonylCPI(3-MCCPI) derivatives (8a,b) and cyclopropapyrrolocarbazole (CPC) derivative (10a) were found to exhibit comparable cytotoxicity to U-73,975 (adozelesin) (1).