tert-butyl N-[2-[bis[3-[bis[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl]amino]ethyl]carbamate | 412008-01-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-[2-[bis[3-[bis[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl]amino]ethyl]carbamate
• CAS: 412008-01-6
• 化学式: C₄₉H₈₂N₁₆O₂
• 分子量: 927.296
• InChiKey: AVSZIIBBVOHWTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  67
• 可旋转键数：
  45
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  251
• 氢给体数：
  1
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[bis[3-[bis[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl]amino]ethyl]carbamate 在 三氟乙酸 作用下， 以 氯仿 、 苯甲醚 为溶剂， 反应 0.42h， 以80%的产率得到3-[[3-((3-{(2-Amino-ethyl)-[3-(bis-{3-[bis-(2-cyano-ethyl)-amino]-propyl}-amino)-propyl]-amino}-propyl)-{3-[bis-(2-cyano-ethyl)-amino]-propyl}-amino)-propyl]-(2-cyano-ethyl)-amino]-propionitrile
  参考文献：
  名称：

  Synthesis and antitumour activity of new dendritic polyamines–(imide–DNA-intercalator) conjugates: potent Lck inhibitors

  摘要：

  A series of dendritic polyamines-(imide-DNA-intercalators) conjugates with different connectivity in their basic chain were synthesised and evaluated as antitumour compounds. Although their antiproliferative activity against HT-29 was not significant, conjugates 13 and 16 showed a promising profile as inhibitors of Lck. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01362-4
• 作为产物：
  描述：

  丙烯腈 、 tert-butyl N-[2-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]ethyl]carbamate 以 甲醇 为溶剂， 以82%的产率得到tert-butyl N-[2-[bis[3-[bis[3-[bis(2-cyanoethyl)amino]propyl]amino]propyl]amino]ethyl]carbamate
  参考文献：
  名称：

  Synthesis and antitumour activity of new dendritic polyamines–(imide–DNA-intercalator) conjugates: potent Lck inhibitors

  摘要：

  A series of dendritic polyamines-(imide-DNA-intercalators) conjugates with different connectivity in their basic chain were synthesised and evaluated as antitumour compounds. Although their antiproliferative activity against HT-29 was not significant, conjugates 13 and 16 showed a promising profile as inhibitors of Lck. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(02)01362-4

文献信息

• Synthesis of antitumor dendritic imides
  作者：Miguel F Braña、Gema Domı́nguez、Beatriz Sáez、Cynthia Romerdahl、Simmon Robinson、Teresa Barlozzari

  DOI：10.1016/s0960-894x(01)00618-7

  日期：2001.12

  Dendritic imides were synthesized and evaluated as antitumor compounds. Compounds 8 and 11 showing a promising profile as inhibitors of lck but their antiproliferative activity against HT-29 was not so relevant. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Synthesis and antitumour activity of new dendritic polyamines–(imide–DNA-intercalator) conjugates: potent Lck inhibitors
  作者：Miguel F. Braña、Gema Domı́nguez、Beatriz Sáez、Cynthia Romerdahl、Simmon Robinson、Teresa Barlozzari

  DOI：10.1016/s0223-5234(02)01362-4

  日期：2002.7

  A series of dendritic polyamines-(imide-DNA-intercalators) conjugates with different connectivity in their basic chain were synthesised and evaluated as antitumour compounds. Although their antiproliferative activity against HT-29 was not significant, conjugates 13 and 16 showed a promising profile as inhibitors of Lck. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.