(2S,6S,7S,10R)-2-((S)-2-Allyloxy-3,3-dimethyl-butyl)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undecane | 627091-07-0

• 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: (2S,6S,7S,10R)-2-((S)-2-Allyloxy-3,3-dimethyl-butyl)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undecane
• CAS: 627091-07-0
• 化学式: C₂₂H₄₀O₃
• 分子量: 352.558
• InChiKey: JWQTZPQXNUCBDP-PTXJCGOLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.59
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2S,6S,7S,10R)-2-((S)-2-Allyloxy-3,3-dimethyl-butyl)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undecane 在 sodium hydroxide 、 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 3-[(S)-1-((2S,6S,7S,10R)-7-Isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-ylmethyl)-2,2-dimethyl-propoxy]-propan-1-ol
  参考文献：
  名称：

  Role of the A-Ring of Bryostatin Analogues in PKC Binding:  Synthesis and Initial Biological Evaluation of New A-Ring-Modified Bryologs

  摘要：

  The syntheses of three newly designed bryostatin analogues are reported. These simplified analogues, which lack the A-ring present in the natural product but possess differing groups at C9, were obtained using a divergent approach from a common intermediate. All three analogues exhibit potent, single-digit nanomolar affinity to protein kinase C.

  DOI：

  10.1021/ol0504650
• 作为产物：
  描述：

  1-((2S,6S,7S,10R)-7-Isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-yl)-3,3-dimethyl-butan-2-one 在 sodium tetrahydroborate 、 cerium(III) chloride 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 27.0h， 生成 (2S,6S,7S,10R)-2-((S)-2-Allyloxy-3,3-dimethyl-butyl)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undecane
  参考文献：
  名称：

  Role of the A-Ring of Bryostatin Analogues in PKC Binding:  Synthesis and Initial Biological Evaluation of New A-Ring-Modified Bryologs

  摘要：

  The syntheses of three newly designed bryostatin analogues are reported. These simplified analogues, which lack the A-ring present in the natural product but possess differing groups at C9, were obtained using a divergent approach from a common intermediate. All three analogues exhibit potent, single-digit nanomolar affinity to protein kinase C.

  DOI：

  10.1021/ol0504650