ethyl (7S)-7,10-diisopropyl-8,10,13,13-tetramethyl-6-oxo-3,4,5,6,7,8,10,11,12,13-decahydro-1H-benzo[g][1,4]diazonino[7,6,5-cd]indole-4-carboxylate | 1221426-36-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl (7S)-7,10-diisopropyl-8,10,13,13-tetramethyl-6-oxo-3,4,5,6,7,8,10,11,12,13-decahydro-1H-benzo[g][1,4]diazonino[7,6,5-cd]indole-4-carboxylate
• CAS: 1221426-36-3
• 化学式: C₂₉H₄₃N₃O₃
• 分子量: 481.679
• InChiKey: PKBQUIPLCCVPAR-GFVSZVCXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.22
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  74.43
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl (7S)-7,10-diisopropyl-8,10,13,13-tetramethyl-6-oxo-3,4,5,6,7,8,10,11,12,13-decahydro-1H-benzo[g][1,4]diazonino[7,6,5-cd]indole-4-carboxylate 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 以27%的产率得到(6R,9S)-6-(hydroxymethyl)-10,14,17,17-tetramethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048
• 作为产物：
  描述：

  聚合甲醛 、 ethyl (9S)-14,17,17-trimethyl-8-oxo-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraene-6-carboxylate 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以0.16 g的产率得到ethyl (7S)-7,10-diisopropyl-8,10,13,13-tetramethyl-6-oxo-3,4,5,6,7,8,10,11,12,13-decahydro-1H-benzo[g][1,4]diazonino[7,6,5-cd]indole-4-carboxylate
  参考文献：
  名称：

  De novo synthesis of teleocidin B analogs

  摘要：

  Teleocidin B analogs have been synthesized in 24 steps and 1.9% overall yield. The key steps include aromatic Claisen rearrangement, intramolecular Heck reaction of a tetra-substituted alkene, and ruthenium (II) catalyzed indole cyclization. Teleocidin and the new analogs promote cell spreading on fibroblast cells that were treated with amino-Nogo, an inhibitor of cell spreading. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.048