[3-(2-Amino-phenyl)-3-oxo-propyl]-ethyl-carbamic acid benzyl ester | 177611-42-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [3-(2-Amino-phenyl)-3-oxo-propyl]-ethyl-carbamic acid benzyl ester
• CAS: 177611-42-6
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: JUONXHZHJOISCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  72.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-乙基-7,8-二氢-4-羟基-1H-吡喃并[3,4-f]吲嗪-3,6,10(4H)-三酮 、 [3-(2-Amino-phenyl)-3-oxo-propyl]-ethyl-carbamic acid benzyl ester 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以67%的产率得到4-Ethyl-11-(2-ethylamino-ethyl)-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
  参考文献：
  名称：

  Synthesis and antitumor activity of 7-substituted 20(RS)-camptothecin analogues

  摘要：

  Novel water-soluble camptothecin analogues with excellent antitumor activity have been designed and synthesized by total synthesis. The analogues were evaluated for cytotoxic activity against five tumor cell lines. The most potent analogue 6c exhibited significant antitumor activity at wider range of doses as compared with camptothecin (T/C 243 % at 70mg/kg; T/C > 150% at 8.75-140mg/kg). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00131-x
• 作为产物：
  描述：

  3-Ethylamino-1-(2-nitro-phenyl)-propan-1-one 在 sodium dithionite 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 [3-(2-Amino-phenyl)-3-oxo-propyl]-ethyl-carbamic acid benzyl ester
  参考文献：
  名称：

  Synthesis and antitumor activity of 7-substituted 20(RS)-camptothecin analogues

  摘要：

  Novel water-soluble camptothecin analogues with excellent antitumor activity have been designed and synthesized by total synthesis. The analogues were evaluated for cytotoxic activity against five tumor cell lines. The most potent analogue 6c exhibited significant antitumor activity at wider range of doses as compared with camptothecin (T/C 243 % at 70mg/kg; T/C > 150% at 8.75-140mg/kg). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00131-x