Methyl 2-[1-[6-(oxan-2-yloxy)hexyl]indol-3-yl]-2-oxoacetate | 688024-88-6

• 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: Methyl 2-[1-[6-(oxan-2-yloxy)hexyl]indol-3-yl]-2-oxoacetate
• CAS: 688024-88-6
• 化学式: C₂₂H₂₉NO₅
• 分子量: 387.476
• InChiKey: AYYCVRBWJAYENK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  66.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  、 sodium methylate 以 甲醇 为溶剂， 生成 Methyl 2-[1-[6-(oxan-2-yloxy)hexyl]indol-3-yl]-2-oxoacetate
  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

• [EN] NUCLEOTIDE-BINDING PROTEIN-DIRECTED PROBES AND METHODS OF THEIR SYNTHESIS AND USE<br/>[FR] SONDES DIRIGEES SUR DES PROTEINES SE LIANT AUX NUCLEOTIDES ET PROCEDES DE SYNTHESE ET D'UTILISATION CORRESPONDANTS
  申请人：ACTIVX BIOSCIENCES INC

  公开号：WO2004040003A2

  公开（公告）日：2004-05-13

  The present invention provides nucleotide binding protein-directed affinity probes ('NBAPS'), and methods of their preparation and use. The subject methods and compositions can provide enhanced simplicity and accuracy in identifying changes in the presence, amount, or activity of nucleotide binding proteins in a complex protein mixture, preferably kinases, and most preferably active forms of kinases, using NBAPs that bind to target nucleotide binding protein(s). The profiling methods described herein can have a number of steps leading to the identification of target nucleotide binding protein(s) in a complex protein mixture.