(2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid | 1016643-08-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
• CAS: 1016643-08-5
• 化学式: C₃₁H₂₇N₃O₈
• 分子量: 569.571
• InChiKey: GHAAEYINJLFABM-DQEYMECFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  165
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (-)-(S,S)-2-(tert-butyl-dimethyl-silanyloxy)-3-{1-[2-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-ethyl]-3-[2-naphthalen-2-yl-1-(2-trimethylsilanyl-ethoxycarbonyl)-ethyl]ureido}-propionic acid 2-trimethylsilanyl-ethyl ester 在 三氟乙酸 作用下， 以 水 为溶剂， 以70%的产率得到(2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]carbamoyl]amino]-3-naphthalen-2-ylpropanoic acid
  参考文献：
  名称：

  Targeting ACE and ECE with dual acting inhibitors

  摘要：

  A series of urea analogues related to SA6817 and a GSK phosphonic acid with reported ACE inhibitory activity were prepared and tested for dual ACE and ECE activities. Although excellent ACE and NEP inhibition was achieved, only modest ECE inhibition was observed with one analogue. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.12.013

文献信息

• Targeting ACE and ECE with dual acting inhibitors
  作者：Stephen Hanessian、Sébastien Guesné、Ludivine Riber、Julien Marin、Alain Benoist、Philippe Mennecier、Alain Rupin、Tony J. Verbeuren、Guillaume De Nanteuil

  DOI：10.1016/j.bmcl.2007.12.013

  日期：2008.2

  A series of urea analogues related to SA6817 and a GSK phosphonic acid with reported ACE inhibitory activity were prepared and tested for dual ACE and ECE activities. Although excellent ACE and NEP inhibition was achieved, only modest ECE inhibition was observed with one analogue. (C) 2008 Published by Elsevier Ltd.