[14-[2-(Diethylamino)ethyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] ethyl carbonate | 99008-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [14-[2-(Diethylamino)ethyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] ethyl carbonate
• 英文别名: [14-[2-(diethylamino)ethyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] ethyl carbonate
• CAS: 99008-95-4
• 化学式: C₂₂H₂₅N₅O₅
• 分子量: 439.471
• InChiKey: KDBYLCAGGWXYOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二氯-3-硝基苯甲酸 在 甲烷磺酸 、 N,N-二甲基苯胺 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 氯仿 、 溶剂黄146 为溶剂， 反应 53.0h， 生成 [14-[2-(Diethylamino)ethyl]-10-nitro-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-4-yl] ethyl carbonate
  参考文献：
  名称：

  2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines, a new class of anticancer agents

  摘要：

  2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines were prepared from substituted anilines via the 1-chloro-4-nitroacridones followed by condensation with [(alkylamino)alkyl]hydrazines. Impressive activity was demonstrated for the 9-hydroxy, 9-alkoxy, and 9-acyloxy analogs in vitro on a L1210 leukemia line and in vivo against the P388 leukemia. Advanced studies led to the selection of 3bbb for clinical trial.

  DOI：

  10.1021/jm00104a001

文献信息

• Pyrazolo(3,4,5-kl)acridine compounds, pharmaceutical compositions comprising the same and processes for their production
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0138302A1

  公开（公告）日：1985-04-24

  Pyrazolo[3,4,5-kl]acridines are described as antibacterial agents and antitumor agents as well as pharmaceutical compositions and methods for their preparation.

  描述了吡唑并[3,4,5-kl]吖啶作为抗菌剂和抗肿瘤剂的情况，以及其药物组合物和制备方法。
• US4555572A
  申请人：——

  公开号：US4555572A

  公开（公告）日：1985-11-26
• US4621086A
  申请人：——

  公开号：US4621086A

  公开（公告）日：1986-11-04
• US4588730A
  申请人：——

  公开号：US4588730A

  公开（公告）日：1986-05-13
• 2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines, a new class of anticancer agents
  作者：David B. Capps、James Dunbar、Suzanne R. Kesten、Joan Shillis、Leslie M. Werbel、Jacqueline Plowman、Donald L. Ward

  DOI：10.1021/jm00104a001

  日期：1992.12

  2-(Aminoalkyl)-5-nitropyrazolo[3,4,5-kl]acridines were prepared from substituted anilines via the 1-chloro-4-nitroacridones followed by condensation with [(alkylamino)alkyl]hydrazines. Impressive activity was demonstrated for the 9-hydroxy, 9-alkoxy, and 9-acyloxy analogs in vitro on a L1210 leukemia line and in vivo against the P388 leukemia. Advanced studies led to the selection of 3bbb for clinical trial.