7-O-ethylmadolin W | 1429767-78-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-O-ethylmadolin W
• 英文别名: (1R,2E,6E,10S,11S)-10-ethoxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
• CAS: 1429767-78-1
• 化学式: C₁₇H₂₆O₂
• 分子量: 262.392
• InChiKey: BBHMZQWNAKKPBE-BCABADQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴乙烷 、 Madolin W 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以1.5 mg的产率得到7-O-ethylmadolin W
  参考文献：
  名称：

  Extracellular Signal-Regulated Kinases (ERK) Inhibitors from Aristolochia yunnanensis

  摘要：

  Six new sesquiterpenoids, aristoyunnolins A-F (1-6), an artifact of isolation [7-O -ethyl madolin W (7)], and 12 known analogues were isolated from stems of Aristolochia yunnanensis. The structures were determined by combined chemical and spectral methods, and the absolute configurations of compounds 2, 3, 5-7, 9, 14, and 17 were determined by the modified Mosher's method and CD analysis. Compounds 1-19 were screened using a bioassay system designed to evaluate the effect on mitogen-activated protein kinases (MAPICs) signaling pathways. Among three MAPKs (ERK1/2, JNK, and p38), compounds 1, 4, 10-13, 16, 18, and 19 exhibited selective inhibition of the phosphorylation of ERK1/2. Compounds 16 and 19 were more active than the positive control PD98059, a known inhibitor of the ERK1/2 signaling pathway.

  DOI：

  10.1021/np300887d