| 220873-40-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 220873-40-5
• 化学式: C₆₁H₅₅BrN₂O₉
• 分子量: 1040.02
• InChiKey: RNPFAYKXWMKHCK-MTPGPKEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.74
• 重原子数：
  73.0
• 可旋转键数：
  22.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  106.92
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 甲基碘化镁 、 氢气 、 溶剂黄146 作用下， 生成
  参考文献：
  名称：

  Indolocarbazole poisons of human topoisomerase I: Regioisomeric analogues of ED-110

  摘要：

  All four "symmetrical" regioisomers of ED-110, an indolocarbazole derivative having potent activity against human topoisomerase I (Topo I) were synthesized. The isomer containing hydroxyl groups in the 3- and 9-positions was approximately ten-fold more active against Topo I, and 5- to 35-fold more active against human solid tumor cell lines in vitro, relative to ED-110. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00710-0
• 作为产物：
  描述：

  7-苄氧基吲哚 在 甲基碘化镁 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 生成
  参考文献：
  名称：

  Indolocarbazole poisons of human topoisomerase I: Regioisomeric analogues of ED-110

  摘要：

  All four "symmetrical" regioisomers of ED-110, an indolocarbazole derivative having potent activity against human topoisomerase I (Topo I) were synthesized. The isomer containing hydroxyl groups in the 3- and 9-positions was approximately ten-fold more active against Topo I, and 5- to 35-fold more active against human solid tumor cell lines in vitro, relative to ED-110. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00710-0