| 1174394-86-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• CAS: 1174394-86-5
• 化学式: C₄₀H₇₁NO₆SSi₂
• 分子量: 750.244
• InChiKey: UDHFNQYLLPSAPB-FGWMKDMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.95
• 重原子数：
  50.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  83.95
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 氟化氢吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以88%的产率得到(S)-14-methoxyepothilone D
  参考文献：
  名称：

  New Sources of Chemical Diversity Inspired by Biosynthesis: Rational Design of a Potent Epothilone Analogue

  摘要：

  A concise total synthesis of (S)-14-methoxyepothilone D has been accomplished. (S)-14-Methoxyepothilone D represents a conceptually novel example of polyketide analogue design based on an alternative biogenetic pattern of extender units. The significant biological activity observed for this compound provides a foundation to support studies designed to prepare derivatives of this type through fermentation of genetically engineered organisms expressing the epothilone PKS gene cluster.

  DOI：

  10.1021/ol900971r
• 作为产物：
  描述：

  在 2,4,6-三氯苯甲酰氯 、 N,N-二异丙基乙胺 、 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 16.0h， 以81%的产率得到
  参考文献：
  名称：

  New Sources of Chemical Diversity Inspired by Biosynthesis: Rational Design of a Potent Epothilone Analogue

  摘要：

  A concise total synthesis of (S)-14-methoxyepothilone D has been accomplished. (S)-14-Methoxyepothilone D represents a conceptually novel example of polyketide analogue design based on an alternative biogenetic pattern of extender units. The significant biological activity observed for this compound provides a foundation to support studies designed to prepare derivatives of this type through fermentation of genetically engineered organisms expressing the epothilone PKS gene cluster.

  DOI：

  10.1021/ol900971r