| 1255639-81-6

• 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: 1255639-81-6
• 化学式: C₄₁H₅₈O₆Si₂
• 分子量: 703.079
• InChiKey: NJGUGOJUJVTFFR-HBJVGNJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.95
• 重原子数：
  49.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 potassium fluoride 、 Jones reagent 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以64%的产率得到
  参考文献：
  名称：

  Kinase Inhibition by Deoxy Analogues of the Resorcylic Lactone L-783277

  摘要：

  The natural product L-783277 is a resorcylic lactone type covalent kinase inhibitor We prepared the 5'-deoxy analogue of L-783277 (1) in a stereoselective fashion. Remarkably, this analogue retains almost the full kinase inhibitory potential of natural L-783277, with low nanomolar IC50 values against the most sensitive kinases, and it exhibits essentially the same selectivity profile (within the panel of 39 kinases investigated). In contrast, removal of both the 4'- and the 5'-hydroxyl groups leads to a more significant reduction in kinase inhibitory activity and so does a change in the geometry of the C7'-C8' double bond in 1 from Z to E. These findings offer new perspectives for the design of second generation resorcylic lactone-based kinase inhibitors.

  DOI：

  10.1021/ml1001807
• 作为产物：
  描述：

  在 咪唑 、 甲醇 、 水 、 氢气 、 9-硼双环[3.3.1]壬烷 、 三苯基膦 、 sodium hydroxide 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 87.0 ℃ 、750.01 kPa 条件下， 反应 60.83h， 生成
  参考文献：
  名称：

  Kinase Inhibition by Deoxy Analogues of the Resorcylic Lactone L-783277

  摘要：

  The natural product L-783277 is a resorcylic lactone type covalent kinase inhibitor We prepared the 5'-deoxy analogue of L-783277 (1) in a stereoselective fashion. Remarkably, this analogue retains almost the full kinase inhibitory potential of natural L-783277, with low nanomolar IC50 values against the most sensitive kinases, and it exhibits essentially the same selectivity profile (within the panel of 39 kinases investigated). In contrast, removal of both the 4'- and the 5'-hydroxyl groups leads to a more significant reduction in kinase inhibitory activity and so does a change in the geometry of the C7'-C8' double bond in 1 from Z to E. These findings offer new perspectives for the design of second generation resorcylic lactone-based kinase inhibitors.

  DOI：

  10.1021/ml1001807