(E)-6-[5-((2E,4E)-2,5-Dimethyl-nona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl]-hex-2-enoic acid methyl ester | 808132-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-6-[5-((2E,4E)-2,5-Dimethyl-nona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl]-hex-2-enoic acid methyl ester
• CAS: 808132-11-8
• 化学式: C₂₃H₃₀O₆
• 分子量: 402.488
• InChiKey: BJYYNMINTKEQEU-PFBCSEFASA-N

物化性质

• 沸点：
  527.6±50.0 °C(predicted)
• 密度：
  1.132±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  29.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.81
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (E)-6-[5-((2E,4E)-2,5-Dimethyl-nona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl]-hex-2-enoic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045
• 作为产物：
  描述：

  methyl (E)-6-(4-hydroxy-2-oxo-3-propionyl-2H-pyran-6-yl)hex-2-enoate 在 四氯化钛 、 甲基磺酰氯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 57.5h， 生成 (E)-6-[5-((2E,4E)-2,5-Dimethyl-nona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl]-hex-2-enoic acid methyl ester
  参考文献：
  名称：

  Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation

  摘要：

  A series of myxopyronin B analogs has been prepared via a convergent synthetic route and were tested for in vitro inhibitory activity against DNA-dependent RNA polymerase and antibacterial activity against E. coli and S. aureus. The parent lead compound proved to be very sensitive to even small changes. Only the achiral desmethyl myxopyronin B (1a) provided enhanced potency. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.08.045