(2E,6E,8E,10E)-10-(methoxycarbonyl)-2,8-dimethyldodeca-2,6,8,10-tetraenoic acid | 1038918-04-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2E,6E,8E,10E)-10-(methoxycarbonyl)-2,8-dimethyldodeca-2,6,8,10-tetraenoic acid
• 英文别名: (2E,6E,8E,10E)-10-methoxycarbonyl-2,8-dimethyldodeca-2,6,8,10-tetraenoic acid
• CAS: 1038918-04-5
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: JJKSVHTVBHGTFZ-PFTGSOOJSA-N

物化性质

• 沸点：
  452.2±38.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-乙酰基-L-半胱氨酸甲酯 、 (+)-epolactaene 在 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 0.33h， 以72%的产率得到(2E,6E,8E,10E)-10-(methoxycarbonyl)-2,8-dimethyldodeca-2,6,8,10-tetraenoic acid
  参考文献：
  名称：

  Syntheses and applications of fluorescent and biotinylated epolactaene derivatives: Epolactaene and its derivative induce disulfide formation

  摘要：

  Epolactaene, isolated from cultured Penicillium sp. BM 1689-P mycelium, induces neurite outgrowth and arrests the cell cycle of the human neuroblastoma cell line, SH-SY5Y, at the G1 phase. We have found that epolactaene and its derivatives induce apoptosis in the human leukemia B-cell line, BALL-1. In this study, we prepared fluorescent and biotinylated epolactaene derivatives. We characterized the cellular location and the identification of BALL-1 proteins that reacted with these compounds. The results obtained from the reaction of epolactaene or its derivative with N-acetylcysteine methyl ester indicate that these compounds induce the disulfide formation and the alpha-position of the epoxylactam core is the reactive site. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.03.029