2-Oxo-2-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]acetyl chloride | 1002115-95-8

• 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: 2-Oxo-2-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]acetyl chloride
• CAS: 1002115-95-8
• 化学式: C₂₁H₂₀ClN₃O₂
• 分子量: 381.862
• InChiKey: RDKYRQPOUQVRFS-UHFFFAOYSA-N

物化性质

• 沸点：
  563.3±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methyl-3-indoleacetimidic acid isopropyl ester hydrochloride 、 2-Oxo-2-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]acetyl chloride 在 三乙胺 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.5h， 生成 丁胺苯丙酮
  参考文献：
  名称：

  Acyclic N-(azacycloalkyl)bisindolylmaleimides: isozyme selective inhibitors of PKCβ

  摘要：

  The synthesis and structure-activity relationship (SAR) trends of a new class of N-(azacycloalkyl)bisindolylmaleimides 1, acyclic derivatives of staurosporine, is described. The representative compound for this series (1e) exhibits an IC50 of 40-50 nM against the human PKCbeta(1) and PKCbeta(2) isozymes and selectively inhibits the PKCbeta isozymes in comparison to other PKC isozymes (alpha, gamma, delta, epsilon, lambda, and eta). The series is also kinase selective for PKC in comparison to other ATP-dependent kinases. A comparison of the PKC isozyme and kinase activity of the series is made to the kinase inhibitor staurosporine. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00286-5
• 作为产物：
  描述：

  1-[1-(吡啶-2-基甲基)哌啶-4-基]吲哚 生成 2-Oxo-2-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]acetyl chloride
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 2003, 13, 1857-1859

  摘要：

  DOI：

文献信息

• DEUTERIUM-ENRICHED ENZASTAURIN
  申请人：Czarnik Anthony W.

  公开号：US20090069377A1

  公开（公告）日：2009-03-12

  The present application describes deuterium-enriched enzastaurin, pharmaceutically acceptable salt forms thereof, and methods of treating using the same.
• Acyclic N-(azacycloalkyl)bisindolylmaleimides: isozyme selective inhibitors of PKCβ
  作者：Margaret M Faul、James R Gillig、Michael R Jirousek、Lawrence M Ballas、Theo Schotten、Astrid Kahl、Michael Mohr

  DOI：10.1016/s0960-894x(03)00286-5

  日期：2003.6

  The synthesis and structure-activity relationship (SAR) trends of a new class of N-(azacycloalkyl)bisindolylmaleimides 1, acyclic derivatives of staurosporine, is described. The representative compound for this series (1e) exhibits an IC50 of 40-50 nM against the human PKCbeta(1) and PKCbeta(2) isozymes and selectively inhibits the PKCbeta isozymes in comparison to other PKC isozymes (alpha, gamma, delta, epsilon, lambda, and eta). The series is also kinase selective for PKC in comparison to other ATP-dependent kinases. A comparison of the PKC isozyme and kinase activity of the series is made to the kinase inhibitor staurosporine. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Bioorg. Med. Chem. Lett. 2003, 13, 1857-1859
  作者：

  DOI：——

  日期：——