(-)-(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 | 1016644-19-1

• 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: (-)-(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
• CAS: 1016644-19-1
• 化学式: C₄₇H₆₅N₃O₈Si₃
• 分子量: 884.305
• InChiKey: HFXNUXMKBDQYFJ-ZAQUEYBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.37
• 重原子数：
  61.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  131.55
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  、 (-)-(S)-2-(tert-butyl-dimethyl-silanyloxy)-3-[2-(1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-ethylamino]propionic acid 2-trimethylsilanyl-ethyl ester 、 N,N'-羰基二咪唑 在 咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以80%的产率得到(-)-(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
  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