| 1393646-05-3

• 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
• CAS: 1393646-05-3
• 化学式: C₁₂H₉Br₂NO₂
• 分子量: 359.017
• InChiKey: NBLBIIYLPOPVDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  31.35
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 (5S,6R)-5-ethyl-5-hydroxy-1,7-dioxo-1,2,5,6,7,9-hexahydro-8-oxa-2-aza-benzocyclohepten-6-yl acetate 在 potassium tert-butylate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 6.5h， 以60%的产率得到[(4R,5S)-8-[(7-bromo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-5-ethyl-5-hydroxy-3,9-dioxo-1,4-dihydrooxepino[3,4-c]pyridin-4-yl] acetate
  参考文献：
  名称：

  Synthesis and biological evaluation of new homocamptothecin analogs

  摘要：

  In order to increase the stability of E-ring of homocamptothecins, the electron-withdrawing group -OH or -OAc was induced to alpha position of ring-E lactone. Ten new homocamptothecin analogs were synthesized. Most compounds showed potent in vitro anticancer activity and potent Topo I inhibition, which was equal or superior to that of CPT, SN-38 and 10-HCPT. The stability studies of this series also displayed significant improvement of the stability. (c) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.05.002