[Allyloxycarbonyl-(2-{2-[(2-benzyloxycarbonylamino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetic acid methyl ester | 441778-89-8

• 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: [Allyloxycarbonyl-(2-{2-[(2-benzyloxycarbonylamino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetic acid methyl ester
• CAS: 441778-89-8
• 化学式: C₂₆H₃₈N₄O₉
• 分子量: 550.609
• InChiKey: IHTRSHFWLPQCTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  39.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  152.81
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  [Allyloxycarbonyl-(2-{2-[(2-benzyloxycarbonylamino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetic acid methyl ester 在 lithium hydroxide 、 calcium chloride 作用下， 以 水 、 异丙醇 为溶剂， 以85%的产率得到[Allyloxycarbonyl-(2-{2-[(2-benzyloxycarbonylamino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetic acid
  参考文献：
  名称：

  Liquid-phase combinatorial synthesis of diPNA-arginine conjugates

  摘要：

  Considering the promising anti HIV activity displayed by some diPNA-arginine conjugates, a library has been generated to determine the target(s) and mode(s) of action of these presumed multi targets drugs and to optimize the antiviral properties of lead compounds. This library has been prepared using a combinatorial liquid-phase strategy, involving easily available N-protected PNA dimeric backbones as building blocks. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00067-9
• 作为产物：
  描述：

  methyl N-(2-benzyloxycarbonylaminoethyl)-N-(tert-butoxycarbonyl)glycinate 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [Allyloxycarbonyl-(2-{2-[(2-benzyloxycarbonylamino-ethyl)-tert-butoxycarbonyl-amino]-acetylamino}-ethyl)-amino]-acetic acid methyl ester
  参考文献：
  名称：

  Liquid-phase combinatorial synthesis of diPNA-arginine conjugates

  摘要：

  Considering the promising anti HIV activity displayed by some diPNA-arginine conjugates, a library has been generated to determine the target(s) and mode(s) of action of these presumed multi targets drugs and to optimize the antiviral properties of lead compounds. This library has been prepared using a combinatorial liquid-phase strategy, involving easily available N-protected PNA dimeric backbones as building blocks. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00067-9