tert-butyl (3-(1-(2-amino-2-oxoethyl)-1H-indol-3-yl)propyl)carbamate | 1051395-93-7

• 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: tert-butyl (3-(1-(2-amino-2-oxoethyl)-1H-indol-3-yl)propyl)carbamate
• CAS: 1051395-93-7
• 化学式: C₁₈H₂₅N₃O₃
• 分子量: 331.415
• InChiKey: OYDTYXZQPGOCNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.58
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  86.35
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-碘乙酰胺 、 tert-butyl (3-(1H-indol-3-yl)propyl)carbamate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到tert-butyl (3-(1-(2-amino-2-oxoethyl)-1H-indol-3-yl)propyl)carbamate
  参考文献：
  名称：

  Aryl–indolyl maleimides as inhibitors of CaMKIIδ. Part 3: Importance of the indole orientation

  摘要：

  A family of aryl-substituted maleimides was prepared and studied for their activity against calmodulin dependant kinase. Inhibitory activities against the enzyme ranged from 10 nM to > 20 mu M and were dependant upon both the nature of the aryl group and the tether joining the basic amine to the indolyl maleimide core of the inhibitors. Key interactions with the kinase ATP site and hinge region, predicted by homology modeling, were confirmed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.057