(E)-4-(3,7-dimethylocta-2,6-dienyloxy)-3-(3-(4-methylpiperidin-1-yl)propoxy)benzaldehyde | 1655506-97-0

• 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: (E)-4-(3,7-dimethylocta-2,6-dienyloxy)-3-(3-(4-methylpiperidin-1-yl)propoxy)benzaldehyde
• CAS: 1655506-97-0
• 化学式: C₂₆H₃₉NO₃
• 分子量: 413.601
• InChiKey: JHEOQEMVCVDRBT-LPYMAVHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.07
• 重原子数：
  30.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-4-(3,7-dimethylocta-2,6-dienyloxy)-3-(3-(4-methylpiperidin-1-yl)propoxy)benzaldehyde 、 (S)-1,4-diacetyl-3-methylpiperazine-2,5-dione 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and bioactivity of diketopiperazine PJ147 and its derivatives from Gliocladium sp. YUP08

  摘要：

  Concise total synthesis of diketopiperazine PJ147, obtained from mycelium of Gliocladium sp. YUP08, has been achieved in seven steps with 43.5% overall yield. Biological evaluation of PJ147 exhibited strong inhibiting activity against A375-S2, Hela, P388, A-549, HL-60, and BEL-7420 cell lines. Thus, eight derivatives of PJ147 with high water solubility were also synthesized to facilitate the in vivo bioassay of this kind of diketopiperazines.

  DOI：

  10.1080/10286020.2014.916283
• 作为产物：
  描述：

  (E)-4-((3,7-dimethylocta-2,6-dien-1-yl)oxy)-3-hydroxybenzaldehyde 在 potassium carbonate 、 potassium iodide 作用下， 反应 16.0h， 生成 (E)-4-(3,7-dimethylocta-2,6-dienyloxy)-3-(3-(4-methylpiperidin-1-yl)propoxy)benzaldehyde
  参考文献：
  名称：

  Synthesis and bioactivity of diketopiperazine PJ147 and its derivatives from Gliocladium sp. YUP08

  摘要：

  Concise total synthesis of diketopiperazine PJ147, obtained from mycelium of Gliocladium sp. YUP08, has been achieved in seven steps with 43.5% overall yield. Biological evaluation of PJ147 exhibited strong inhibiting activity against A375-S2, Hela, P388, A-549, HL-60, and BEL-7420 cell lines. Thus, eight derivatives of PJ147 with high water solubility were also synthesized to facilitate the in vivo bioassay of this kind of diketopiperazines.

  DOI：

  10.1080/10286020.2014.916283