1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-bis[(trans-4-{N-[(4-methoxybenzyl)oxy]carbonyl}amino)cyclohexylcarbonyloxy]-octane | 200863-91-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-bis[(trans-4-{N-[(4-methoxybenzyl)oxy]carbonyl}amino)cyclohexylcarbonyloxy]-octane
• CAS: 200863-91-8
• 化学式: C₆₈H₆₈N₂O₁₈
• 分子量: 1201.29
• InChiKey: GNTXPOJQNBIOMX-MLKLOGGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.26
• 重原子数：
  88.0
• 可旋转键数：
  21.0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  296.92
• 氢给体数：
  6.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-bis[(trans-4-{N-[(4-methoxybenzyl)oxy]carbonyl}amino)cyclohexylcarbonyloxy]-octane 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.0h， 以91%的产率得到1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-bis[(trans-4-amino)cyclohexylcarbonyloxy]-octane dihydrochloride
  参考文献：
  名称：

  The synthesis of bisanthraquinone derivatives as DNA bisintercalating agents

  摘要：

  The linked bisanthraquinone derivatives 4a-c were synthesized as DNA bisintercalating agents. Starting from the aldehyde 7, the linking chain was introduced via a Grignard reaction to afford the ethers 9a-c. Subsequent anodic oxidation of these products, followed by annelation with the anion of phthalide 5 affordedthe linked anthraquinones 12. The target compounds were then obtained by selective esterification with the acid 14, followed by deprotection with anhydrous hydrogen chloride. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10196-x
• 作为产物：
  描述：

  2,2'-(2,4,13,15-tetraoxahexadecane-5,12-diyl)bis(4,4-dimethoxycyclohexa-2,5-dien-1-one) 在 4-二甲氨基吡啶 、 三氯化硼 、 N,N'-二环己基碳二亚胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 105.5h， 生成 1,8-bis(1,4-dihydroxyanthracene-9,10-dion-2-yl)-1,8-bis[(trans-4-{N-[(4-methoxybenzyl)oxy]carbonyl}amino)cyclohexylcarbonyloxy]-octane
  参考文献：
  名称：

  The synthesis of bisanthraquinone derivatives as DNA bisintercalating agents

  摘要：

  The linked bisanthraquinone derivatives 4a-c were synthesized as DNA bisintercalating agents. Starting from the aldehyde 7, the linking chain was introduced via a Grignard reaction to afford the ethers 9a-c. Subsequent anodic oxidation of these products, followed by annelation with the anion of phthalide 5 affordedthe linked anthraquinones 12. The target compounds were then obtained by selective esterification with the acid 14, followed by deprotection with anhydrous hydrogen chloride. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10196-x