(4-hydroxy-3,10-dioxo-4,7,8,10-tetrahydro-1H,3H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolan]-4-yl)methyl isopropylcarbamate | 177611-82-4

• 分子结构分类: 有机化合物
• 英文名称: (4-hydroxy-3,10-dioxo-4,7,8,10-tetrahydro-1H,3H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolan]-4-yl)methyl isopropylcarbamate
• CAS: 177611-82-4
• 化学式: C₁₈H₂₂N₂O₈
• 分子量: 394.381
• InChiKey: IXRHOQDYHNKVMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.17
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  125.32
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (4-hydroxy-3,10-dioxo-4,7,8,10-tetrahydro-1H,3H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolan]-4-yl)methyl isopropylcarbamate 在 三氟乙酸 作用下， 反应 4.0h， 生成 Isopropyl-carbamic acid 4-hydroxy-3,6,10-trioxo-3,4,6,7,8,10-hexahydro-1H-pyrano[3,4-f]indolizin-4-ylmethyl ester
  参考文献：
  名称：

  Synthesis and in vitro cytotoxicity of (RS)-20-desethyl-20-substituted camptothecin analogues

  摘要：

  Sixteen (RS)-20-desethyl-20-substituted camptothecin analogues were designed and prepared by total synthesis. These analogues were evaluated for cytotoxic activity against five tumor cell lines. The cytotoxic activity of compound 14f was shown to be comparable to that of camptothecin. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00132-1
• 作为产物：
  描述：

  ethyl 2-(6′-cyan-5′-oxo-3′,5′-dihydro-2′H-spiro[[1,3]dioxolane-2,1′-indolizine]-7′-yl)acetate 在 吡啶 、 lithium hydroxide 、 四氧化锇 、 镍 、 二乙酸二丁基锡 、 溶剂黄146 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 N,N-二异丙基乙胺 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 水 、 溶剂黄146 、 苯 为溶剂， 反应 75.0h， 生成 (4-hydroxy-3,10-dioxo-4,7,8,10-tetrahydro-1H,3H-spiro[pyrano[3,4-f]indolizine-6,2'-[1,3]dioxolan]-4-yl)methyl isopropylcarbamate
  参考文献：
  名称：

  Synthesis and in vitro cytotoxicity of (RS)-20-desethyl-20-substituted camptothecin analogues

  摘要：

  Sixteen (RS)-20-desethyl-20-substituted camptothecin analogues were designed and prepared by total synthesis. These analogues were evaluated for cytotoxic activity against five tumor cell lines. The cytotoxic activity of compound 14f was shown to be comparable to that of camptothecin. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00132-1