3-[1-(6-Hydroxyhexyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione | 688024-91-1

• 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: 3-[1-(6-Hydroxyhexyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
• 英文别名: 3-[1-(6-hydroxyhexyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
• CAS: 688024-91-1
• 化学式: C₂₇H₂₇N₃O₃
• 分子量: 441.53
• InChiKey: YFLUMTRHMFWSHY-UHFFFAOYSA-N

物化性质

• 沸点：
  720.3±60.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  76.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[1-(6-Hydroxyhexyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione 、 N-alpha-芴甲氧羰基-N-epsilon-叔丁氧羰基-L-赖氨酸 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  Design and synthesis of AX4697, a bisindolylmaleimide exo-affinity probe that labels protein kinase C alpha and beta

  摘要：

  The synthesis and biochemical characterization of AX4697, a fluorescent, bisindolylmaleimide-derived probe for PKC alpha and beta, is described. AX4697 was able to quantify changes in PKC expression in drug-treated Jurkat cells and was shown to covalently label PKC alpha on C619, a residue that sits just outside the active site. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.045
• 作为产物：
  描述：

  1-甲基吲哚-3-乙酰胺 、 Methyl 2-[1-[6-(oxan-2-yloxy)hexyl]indol-3-yl]-2-oxoacetate 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以66%的产率得到3-[1-(6-Hydroxyhexyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
  参考文献：
  名称：

  Design and synthesis of AX4697, a bisindolylmaleimide exo-affinity probe that labels protein kinase C alpha and beta

  摘要：

  The synthesis and biochemical characterization of AX4697, a fluorescent, bisindolylmaleimide-derived probe for PKC alpha and beta, is described. AX4697 was able to quantify changes in PKC expression in drug-treated Jurkat cells and was shown to covalently label PKC alpha on C619, a residue that sits just outside the active site. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.045

文献信息

• Design and synthesis of AX4697, a bisindolylmaleimide exo-affinity probe that labels protein kinase C alpha and beta
  作者：Yongsheng Liu、Jiangyue Wu、Helge Weissig、Juan M. Betancort、Wen Zhi Gai、Phillip S. Leventhal、Matthew P. Patricelli、Babak Samii、Anna K. Szardenings、Kevin R. Shreder、John W. Kozarich

  DOI：10.1016/j.bmcl.2008.08.045

  日期：2008.11

  The synthesis and biochemical characterization of AX4697, a fluorescent, bisindolylmaleimide-derived probe for PKC alpha and beta, is described. AX4697 was able to quantify changes in PKC expression in drug-treated Jurkat cells and was shown to covalently label PKC alpha on C619, a residue that sits just outside the active site. (C) 2008 Elsevier Ltd. All rights reserved.