ethyl pyruvate 4-carboxyphenylhydrazone | 301222-77-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl pyruvate 4-carboxyphenylhydrazone
• 英文别名: (Z)-4-(2-(1-Ethoxy-1-oxopropan-2-ylidene)hydrazinyl)benzoicacid；4-[2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]benzoic acid
• CAS: 301222-77-5
• 化学式: C₁₂H₁₄N₂O₄
• 分子量: 250.254
• InChiKey: ZIKVTANNHLKBSC-UHFFFAOYSA-N

物化性质

• 沸点：
  398.2±44.0 °C(Predicted)
• 密度：
  1.23

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl pyruvate 4-carboxyphenylhydrazone 在 zinc(II) chloride 作用下， 生成 2-乙氧基羰基-5-吲哚羧酸
  参考文献：
  名称：

  Khalaf, Abedawn I.; Pitt, Andrew R.; Suckling, Colin J., Journal of Chemical Research, Miniprint, 2000, # 6, p. 751 - 770

  摘要：

  DOI：
• 作为产物：
  描述：

  丙酮酸乙酯 、 4-肼基苯甲酸 在 溶剂黄146 作用下， 以 异丙醇 为溶剂， 以76%的产率得到ethyl pyruvate 4-carboxyphenylhydrazone
  参考文献：
  名称：

  Novel, selective indole-based ECE inhibitors: Lead optimization via solid-phase and classical synthesis

  摘要：

  A novel class of indole-based endothelia-converting enzyme (ECE) inhibitors was identified by high throughput screening. We report systematic optimization of this compound class by means of classical and solid-phase chemistry. Optimized compounds with a bisarylamide side chain at the 2-position of the indole skeleton exhibit low-nanomolar activity on ECE. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.085

文献信息

• Novel, selective indole-based ECE inhibitors: Lead optimization via solid-phase and classical synthesis
  作者：Michael Brands、Jens-Kerim Ergüden、Kentaro Hashimoto、Dirk Heimbach、Christian Schröder、Stephan Siegel、Johannes-Peter Stasch、Stefan Weigand

  DOI：10.1016/j.bmcl.2005.06.085

  日期：2005.10

  A novel class of indole-based endothelia-converting enzyme (ECE) inhibitors was identified by high throughput screening. We report systematic optimization of this compound class by means of classical and solid-phase chemistry. Optimized compounds with a bisarylamide side chain at the 2-position of the indole skeleton exhibit low-nanomolar activity on ECE. (c) 2005 Elsevier Ltd. All rights reserved.
• Khalaf, Abedawn I.; Pitt, Andrew R.; Suckling, Colin J., Journal of Chemical Research, Miniprint, 2000, # 6, p. 751 - 770
  作者：Khalaf, Abedawn I.、Pitt, Andrew R.、Suckling, Colin J.、Scobie, Martin、Urwin, John、Waigh, Roger D.、Fishleigh, Robert V.、Young, Stephen C.

  DOI：——

  日期：——