(R)-N-[2-((R)-2-Amino-propionylamino)-ethyl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionamide | 155625-52-8

• 英文名称: (R)-N-[2-((R)-2-Amino-propionylamino)-ethyl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionamide
• CAS: 155625-52-8
• 化学式: C₁₇H₂₈N₄O₄S
• 分子量: 384.5
• InChiKey: PBJLLABKXSPQSA-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.14
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  130.39
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-N-[2-((R)-2-Amino-propionylamino)-ethyl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionamide 在 硼烷四氢呋喃络合物 、 氢溴酸 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 9-Methyl-5-((R)-1-methyl-2-{2-[(R)-2-(5-nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylamino]-ethylamino}-ethyl)-2-nitro-5,11-diaza-benzo[de]anthracene-4,6-dione; compound with methanesulfonic acid
  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：

  ((R)-1-{2-[(R)-2-(2,4,6-Trimethyl-benzenesulfonylamino)-propionylamino]-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester 在 盐酸 作用下， 以95%的产率得到(R)-N-[2-((R)-2-Amino-propionylamino)-ethyl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionamide
  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