7-{(2'E,6'E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl}-6-tert-butoxyamino-9-methyl-7H-purinium | 1108160-92-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 7-{(2'E,6'E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl}-6-tert-butoxyamino-9-methyl-7H-purinium
• CAS: 1108160-92-4
• 化学式: C₃₀H₄₇N₅O
• 分子量: 493.736
• InChiKey: VYOWIHFBTBIMMW-ACGTWYODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  36.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  57.39
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N⁶-tert-butoxy-9-methyl-9H-purin-6-amine 、 (5R,6R)-6-[(3E,7E)-9-bromo-3,7-dimethylnona-3,7-dienyl]-1,5,6-trimethylcyclohex-1-ene 以 N,N-二甲基乙酰胺 为溶剂， 反应 21.0h， 以76%的产率得到7-{(2'E,6'E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl}-6-tert-butoxyamino-9-methyl-7H-purinium
  参考文献：
  名称：

  The first synthesis of ent-agelasine F

  摘要：

  Agelasine F has previously been isolated from marine sponges (Agelas sp.) and has been associated with various bioactivities including inhibitory activity on Mycobacterium tuberculosis. No total synthesis of this natural product has been reported. ent-Agelasine F has now been synthesized for the first time, starting from (R)-pulegone. The synthesis is considerably more efficient than a previously reported route to rac-agelasine F. ent-Agelasine F is found to exhibit antimicrobial activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.081