3-[(S)-1-((2S,6S,7S,10R)-7-Isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-ylmethyl)-2,2-dimethyl-propoxy]-propionaldehyde | 462117-20-0

• 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: 3-[(S)-1-((2S,6S,7S,10R)-7-Isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-ylmethyl)-2,2-dimethyl-propoxy]-propionaldehyde
• CAS: 462117-20-0
• 化学式: C₂₂H₄₀O₄
• 分子量: 368.557
• InChiKey: KORYZHGEZHYVKN-PTXJCGOLSA-N

物化性质

• 沸点：
  458.1±25.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.99
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-[(S)-1-((2S,6S,7S,10R)-7-Isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-ylmethyl)-2,2-dimethyl-propoxy]-propionaldehyde 在 咪唑 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 21.75h， 生成 tert-Butyl-((S)-1-{2-[(S)-1-((2S,6S,7S,10R)-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undec-2-ylmethyl)-2,2-dimethyl-propoxy]-ethyl}-but-3-enyloxy)-dimethyl-silane
  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：

  (2S,6S,7S,10R)-2-{(S)-2-[3-(9-Bora-bicyclo[3.3.1]non-9-yl)-propoxy]-3,3-dimethyl-butyl}-7-isopropyl-10-methyl-1,5-dioxa-spiro[5.5]undecane 在 sodium hydroxide 、 双氧水 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 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]-propionaldehyde
  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

文献信息

• BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES
  申请人：WENDER PAUL A.

  公开号：US20090270492A1

  公开（公告）日：2009-10-29

  Biologically active compounds related to the bryostatin family of compounds, including methods of utilizing the same.

  与拟静脉注射家族相关的生物活性化合物，包括利用这些化合物的方法。
• [EN] BRYOSTATIN ANALOGUES, SYNTHETIC METHODS AND USES<br/>[FR] ANALOGUES DE LA BRYOSTATINE, PROCÉDÉS DE SYNTHÈSE ET UTILISATIONS
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2009052507A1

  公开（公告）日：2009-04-23

  Biologically active compounds related to the bryostatin family of compounds, having simplified spacer domains and/or improved recognition domains are disclosed, including methods of preparing and utilizing the same.

  与拟静脉注射药物bryostatin家族相关的生物活性化合物，具有简化的间隔区域和/或改进的识别区域，包括其制备和利用方法。