N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyl-oxybenzoylamino)butyl>-2-benzyloxybenzoyl-phenylalanylamide | 161219-98-3

• 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: N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyl-oxybenzoylamino)butyl>-2-benzyloxybenzoyl-phenylalanylamide
• 英文别名: N-[3-(2,3-dibenzyloxybenzoylamino)propyl]-N-[4-(2,3-dibenzyl-oxybenzoylamino)butyl]-2-benzyloxybenzoyl-phenylalanylamide
• CAS: 161219-98-3
• 化学式: C₇₂H₇₀N₄O₉
• 分子量: 1135.37
• InChiKey: FGLUUPMYEUITPD-VGRRCQLWSA-N

物化性质

• 密度：
  1.211±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  12.78
• 重原子数：
  85.0
• 可旋转键数：
  31.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  153.76
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyl-oxybenzoylamino)butyl>-2-benzyloxybenzoyl-phenylalanylamide 在 palladium hydroxide - carbon 作用下， 以 乙醇 、 环己烯 为溶剂， 反应 3.0h， 以83%的产率得到3-<(2,3-hydroxy-benzoylamino)propyl>-N-<4-(2,3-dihydroxybenzoylamino)butyl>-2-hydroxy-benzoyl-L-phenylalanylamide
  参考文献：
  名称：

  New synthetic probes of the iron transport system of Paracoccus denitrificans

  摘要：

  A range of analogues of parabactin A 4 and agrobactin A 5 have been synthesised. All these comounds were able to chelate iron, and to promote the growth of iron-starved Paracoccus denitrificans to varying degrees. A degree of flexibilty in the siderophore receptor system is thus demonstrated which may be exploitable for the transport of new siderophore - antibiotic conjugates.

  DOI：

  10.1016/s0040-4020(01)85669-6
• 作为产物：
  描述：

  N-(o-Benzyloxy-benzoyl)-L-phenylalanin-methylester 在 4-二甲氨基吡啶 、 sodium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyl-oxybenzoylamino)butyl>-2-benzyloxybenzoyl-phenylalanylamide
  参考文献：
  名称：

  New synthetic probes of the iron transport system of Paracoccus denitrificans

  摘要：

  A range of analogues of parabactin A 4 and agrobactin A 5 have been synthesised. All these comounds were able to chelate iron, and to promote the growth of iron-starved Paracoccus denitrificans to varying degrees. A degree of flexibilty in the siderophore receptor system is thus demonstrated which may be exploitable for the transport of new siderophore - antibiotic conjugates.

  DOI：

  10.1016/s0040-4020(01)85669-6