| 1408227-10-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1408227-10-0
• 化学式: C₂₉H₃₈N₄O₇
• 分子量: 554.643
• InChiKey: OHTBJLKFGQKVEA-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  40.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  140.5
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 水 、 mercury dichloride 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Camptothecins in tumor homing via an RGD sequence mimetic

  摘要：

  RGD peptide mimetic was conjugated to four camptothecins, with the purpose to improve their therapeutic index. The conjugate derivatives were evaluated against two tumor cell lines, one overexpressing integrins (human ovarian carcinoma, A2780) and a second one with a low integrin expression (human prostate cancer, PC3). The in vitro screening was completed with the adhesion behavior to vitronectin. Compound 8 (ST7456CL1) was selected for the in vivo investigation after stability tests over 24 h, in PBS solution and in rat plasma, and compared to irinotecan. The former showed a prolonged half-life. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.061
• 作为产物：
  描述：

  1-(3-硝基苯)哌嗪盐酸盐 在 10% Pd/C 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Camptothecins in tumor homing via an RGD sequence mimetic

  摘要：

  RGD peptide mimetic was conjugated to four camptothecins, with the purpose to improve their therapeutic index. The conjugate derivatives were evaluated against two tumor cell lines, one overexpressing integrins (human ovarian carcinoma, A2780) and a second one with a low integrin expression (human prostate cancer, PC3). The in vitro screening was completed with the adhesion behavior to vitronectin. Compound 8 (ST7456CL1) was selected for the in vivo investigation after stability tests over 24 h, in PBS solution and in rat plasma, and compared to irinotecan. The former showed a prolonged half-life. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.061