{2-[(R)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-propionylamino]-ethyl}-carbamic acid tert-butyl ester | 155625-49-3

• 英文名称: {2-[(R)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-propionylamino]-ethyl}-carbamic acid tert-butyl ester
• CAS: 155625-49-3
• 化学式: C₁₉H₃₁N₃O₅S
• 分子量: 413.538
• InChiKey: NVBZQGLRRDYTFM-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  113.6
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {2-[(R)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-propionylamino]-ethyl}-carbamic acid tert-butyl ester 在 盐酸 、 硼烷四氢呋喃络合物 、 氢溴酸 、 溶剂黄146 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 [R-(R*,R*)]-2-[2-[[2-[(2-aminopropyl)amino]ethyl]amino]-1-methyl ethyl]-5-nitro-1H-benz [de]isoquinoline-1,3(2H)-dione
  参考文献：
  名称：

  The synthesis and antitumor evaluation of unsymmetrical bis-imides

  摘要：

  Unsymmetrical bis-imides 1 were synthesized and evaluated as potential antitumor agents. These novel bis-imides were assessed using three criteria: in vitro cytotoxicity (L1210), in vitro DNA binding, and in vivo studies with human tumor xenografts in mice. These studies identified DMP 315 as a potent, water soluble antitumor agent. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00591-4
• 作为产物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 N-mesitylenesulfonyl-D-alanine 在 N,N'-羰基二咪唑 作用下， 以95%的产率得到{2-[(R)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-propionylamino]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  The synthesis and antitumor evaluation of unsymmetrical bis-imides

  摘要：

  Unsymmetrical bis-imides 1 were synthesized and evaluated as potential antitumor agents. These novel bis-imides were assessed using three criteria: in vitro cytotoxicity (L1210), in vitro DNA binding, and in vivo studies with human tumor xenografts in mice. These studies identified DMP 315 as a potent, water soluble antitumor agent. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00591-4