| 1309608-05-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• CAS: 1309608-05-6
• 化学式: C₁₉H₂₀O₅
• 分子量: 328.365
• InChiKey: LSLFZTBQONCQSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  68.15
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 platinum(II) chloride 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以94%的产率得到
  参考文献：
  名称：

  Identification and initial SAR of silybin: An Hsp90 inhibitor

  摘要：

  Through Hsp90-dependent firefly luciferase refolding and Hsp90-dependent heme-regulated eIF2 alpha kinase (HRI) activation assays, silybin was identified as a novel Hsp90 inhibitor. Subsequently, a library of silybin analogues was designed, synthesized and evaluated. Initial SAR studies identified the essential, non-essential and detrimental functionalities on silybin that contribute to Hsp90 inhibition.[GRAPHICS]. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.088
• 作为产物：
  描述：

  阿魏酸甲酯 在 二异丁基氢化铝 、 silver(l) oxide 作用下， 以 四氢呋喃 、 丙酮 、 苯 为溶剂， 反应 28.0h， 生成
  参考文献：
  名称：

  Identification and initial SAR of silybin: An Hsp90 inhibitor

  摘要：

  Through Hsp90-dependent firefly luciferase refolding and Hsp90-dependent heme-regulated eIF2 alpha kinase (HRI) activation assays, silybin was identified as a novel Hsp90 inhibitor. Subsequently, a library of silybin analogues was designed, synthesized and evaluated. Initial SAR studies identified the essential, non-essential and detrimental functionalities on silybin that contribute to Hsp90 inhibition.[GRAPHICS]. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.088

文献信息

• Identification and initial SAR of silybin: An Hsp90 inhibitor
  作者：Huiping Zhao、Gary E. Brandt、Lakshmi Galam、Robert L. Matts、Brian S.J. Blagg

  DOI：10.1016/j.bmcl.2010.12.088

  日期：2011.5

  Through Hsp90-dependent firefly luciferase refolding and Hsp90-dependent heme-regulated eIF2 alpha kinase (HRI) activation assays, silybin was identified as a novel Hsp90 inhibitor. Subsequently, a library of silybin analogues was designed, synthesized and evaluated. Initial SAR studies identified the essential, non-essential and detrimental functionalities on silybin that contribute to Hsp90 inhibition.[GRAPHICS]. (C) 2011 Elsevier Ltd. All rights reserved.