3-[4-(N'-tert-Butoxycarbonyl-hydrazino)-4-oxo-butyrylamino]-propionic acid benzyl ester | 181638-53-9

• 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: 3-[4-(N'-tert-Butoxycarbonyl-hydrazino)-4-oxo-butyrylamino]-propionic acid benzyl ester
• CAS: 181638-53-9
• 化学式: C₁₉H₂₇N₃O₆
• 分子量: 393.44
• InChiKey: PLOAXWDUSDACEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  122.83
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-[4-(N'-tert-Butoxycarbonyl-hydrazino)-4-oxo-butyrylamino]-propionic acid benzyl ester 在 palladium on activated charcoal 1,4-环己二烯 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 5.17h， 生成 3-(3-Hydrazinocarbonyl-propionylamino)-propionic acid 2,5-dioxo-pyrrolidin-1-yl ester; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Synthesis of reagents for the one step incorporation of hydrazide functionality onto the lysine residues of proteins, and their use as linkers for carbonyl containing molecules

  摘要：

  Two new reagents, 1 and 2, were prepared for the one step incorporation of hydrazide functionality onto the lysine residues of proteins. Their utility as linking reagents was demonstrated by their use in the coupling of two model aldehydes, and the anticancer agent doxorubicin, to a monoclonal antibody. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00265-x
• 作为产物：
  描述：

  3-氨基丙酸苄基酯 在 二(N-琥珀酰亚氨基)草酸 作用下， 以 吡啶 为溶剂， 反应 42.0h， 生成 3-[4-(N'-tert-Butoxycarbonyl-hydrazino)-4-oxo-butyrylamino]-propionic acid benzyl ester
  参考文献：
  名称：

  Synthesis of reagents for the one step incorporation of hydrazide functionality onto the lysine residues of proteins, and their use as linkers for carbonyl containing molecules

  摘要：

  Two new reagents, 1 and 2, were prepared for the one step incorporation of hydrazide functionality onto the lysine residues of proteins. Their utility as linking reagents was demonstrated by their use in the coupling of two model aldehydes, and the anticancer agent doxorubicin, to a monoclonal antibody. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00265-x