4-(1-Triisopropylsilanyl-1H-indol-5-yl)-butyronitrile | 445491-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-(1-Triisopropylsilanyl-1H-indol-5-yl)-butyronitrile
• 英文别名: 4-[1-Tri(propan-2-yl)silylindol-5-yl]butanenitrile
• CAS: 445491-90-7
• 化学式: C₂₁H₃₂N₂Si
• 分子量: 340.584
• InChiKey: HXDALFHYUFGCPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.51
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(1-Triisopropylsilanyl-1H-indol-5-yl)-butyronitrile 在 四丁基氟化铵 、 L-脯氨酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 18.0h， 生成 2-[3-(1H-indol-5-yl)-propyl]-[1,8]naphthyridine
  参考文献：
  名称：

  Non-peptidic αvβ3 antagonists containing indol-1-yl propionic acids

  摘要：

  We describe the synthesis and structure/activity relationship of RGD mimetics that are potent inhibitors of the integrin alpha(v)beta(3)- Indol-1-yl propionic acids containing a variety of basic moieties at the 5-position, as well as substitutions alpha and beta to the carboxy terminus were synthesized and evaluated. Novel compounds with improved potency have been identified. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.028
• 作为产物：
  描述：

  5-溴吲哚 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 22.0h， 生成 4-(1-Triisopropylsilanyl-1H-indol-5-yl)-butyronitrile
  参考文献：
  名称：

  Non-peptidic αvβ3 antagonists containing indol-1-yl propionic acids

  摘要：

  We describe the synthesis and structure/activity relationship of RGD mimetics that are potent inhibitors of the integrin alpha(v)beta(3)- Indol-1-yl propionic acids containing a variety of basic moieties at the 5-position, as well as substitutions alpha and beta to the carboxy terminus were synthesized and evaluated. Novel compounds with improved potency have been identified. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.01.028

文献信息

• Non-peptidic αvβ3 antagonists containing indol-1-yl propionic acids
  作者：Kristi Leonard、Wenxi Pan、Beth Anaclerio、Joan M. Gushue、Zihong Guo、Renee L. DesJarlais、Marge A. Chaikin、Jennifer Lattanze、Carl Crysler、Carl L. Manthey、Bruce E. Tomczuk、Juan Jose Marugan

  DOI：10.1016/j.bmcl.2005.01.028

  日期：2005.5

  We describe the synthesis and structure/activity relationship of RGD mimetics that are potent inhibitors of the integrin alpha(v)beta(3)- Indol-1-yl propionic acids containing a variety of basic moieties at the 5-position, as well as substitutions alpha and beta to the carboxy terminus were synthesized and evaluated. Novel compounds with improved potency have been identified. (c) 2005 Elsevier Ltd. All rights reserved.