| 1041849-77-7

• 分子结构分类: 有机化合物
• CAS: 1041849-77-7
• 化学式: C₇₈H₁₃₆O₁₅Si₅
• 分子量: 1454.36
• InChiKey: FBZPLMVTHNWDDY-URHFVJRTSA-N

物化性质

• 沸点：
  1034.3±65.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  98.0
• 可旋转键数：
  35.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  180.81
• 氢给体数：
  1.0
• 氢受体数：
  15.0

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， 以2.7 mg的产率得到[(1R,3S,7S,8E,11S,12S,13E,15S,17R,21R,23S,25S)-11,21,25-trihydroxy-17-(hydroxymethyl)-13-(2-methoxy-2-oxoethylidene)-10,10-dimethyl-19-oxo-6,18,27,28,29-pentaoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl] octanoate
  参考文献：
  名称：

  The Design, Synthesis, and Evaluation of C7 Diversified Bryostatin Analogs Reveals a Hot Spot for PKC Affinity

  摘要：

  The first series of systematically varied C7-functionalized bryostatin analogs (12 members in all) have been synthesized through an efficient and convergent route. A new hotspot for PKC affinity, not present in the natural products, has been discovered, allowing for affinity control and potentially for selective regulation of PKC isozymes. Several analogs exhibit single-digit nanomolar affinity to PKC and display superior activity compared to bryostatin against the leukemia cell line K562.

  DOI：

  10.1021/ol801235h
• 作为产物：
  描述：

  、 Octanoic acid (2S,3S,6S)-6-[(R)-3-(tert-butyl-dimethyl-silanyloxy)-2-hydroxy-propyl]-2-((E)-1,1-dimethyl-4-oxo-but-2-enyl)-2-hydroxy-4-[1-methoxycarbonyl-meth-(E)-ylidene]-tetrahydro-pyran-3-yl ester 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以4.5 mg的产率得到
  参考文献：
  名称：

  The Design, Synthesis, and Evaluation of C7 Diversified Bryostatin Analogs Reveals a Hot Spot for PKC Affinity

  摘要：

  The first series of systematically varied C7-functionalized bryostatin analogs (12 members in all) have been synthesized through an efficient and convergent route. A new hotspot for PKC affinity, not present in the natural products, has been discovered, allowing for affinity control and potentially for selective regulation of PKC isozymes. Several analogs exhibit single-digit nanomolar affinity to PKC and display superior activity compared to bryostatin against the leukemia cell line K562.

  DOI：

  10.1021/ol801235h