N-tert-butoxycarbonyl-p-nitrophenylalanine N-hydroxysuccinimidyl ester | 88319-56-6

• 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-tert-butoxycarbonyl-p-nitrophenylalanine N-hydroxysuccinimidyl ester
• 英文别名: Boc-Phe(4-NO2)-ONSu；(2,5-Dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate
• CAS: 88319-56-6
• 化学式: C₁₈H₂₁N₃O₈
• 分子量: 407.38
• InChiKey: JTRFHRAKBMSNIS-UHFFFAOYSA-N

物化性质

• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  148
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-tert-butoxycarbonyl-p-nitrophenylalanine N-hydroxysuccinimidyl ester 在 盐酸 、 硼烷 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 85.0h， 生成 N-<2-amino-3-(p-nitrophenyl)propyl>-trans-cyclohexane-1,2-diamine trihydrochloride
  参考文献：
  名称：

  Synthesis of C-functionalized trans-cyclohexyldiethylenetriaminepenta-acetic acids for labelling of monoclonal antibodies with the bismuth-212 α-particle emitter

  摘要：

  Several C-functionalized cyclohexyldiethylenetriaminepenta-acetic acid derivatives have been prepared from (+/-)-4-nitrophenylalanine and (+/-)-trans-cyclohexane-1,2-diamine to produce two sets of diastereoisomeric enantiomers. A modification of this synthesis has been employed to prepare a single enantiomer in order to define the absolute configurations of the products.

  DOI：

  10.1039/p19920001173
• 作为产物：
  描述：

  N-羟基丁二酰亚胺 、 2-叔丁氧基羰基氨基-3-(4-硝基苯基)-丙酸 以 乙酸乙酯 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 N-tert-butoxycarbonyl-p-nitrophenylalanine N-hydroxysuccinimidyl ester
  参考文献：
  名称：

  Synthesis of C-functionalized trans-cyclohexyldiethylenetriaminepenta-acetic acids for labelling of monoclonal antibodies with the bismuth-212 α-particle emitter

  摘要：

  Several C-functionalized cyclohexyldiethylenetriaminepenta-acetic acid derivatives have been prepared from (+/-)-4-nitrophenylalanine and (+/-)-trans-cyclohexane-1,2-diamine to produce two sets of diastereoisomeric enantiomers. A modification of this synthesis has been employed to prepare a single enantiomer in order to define the absolute configurations of the products.

  DOI：

  10.1039/p19920001173

文献信息

• An effective chelating agent for labelling of monoclonal antibody with²¹²Bi for α-particle mediated radioimmunotherapy
  作者：Martin W. Brechbiel、C. Greg Pippin、Thomas J. McMurry、Diane Milenic、Mario Roselli、David Colcher、Otto A. Gansow

  DOI：10.1039/c39910001169

  日期：——

  The ligand N-[2-amino-3-(p-isothiocyanatophenyl)propyl]-(±)-trans-1,2-diaminocyclohexane-N,N′,N″-pentaacetic acid has been synthesized and linked to IgG and to monoclonal antibody B72.3, and labelled with 206Bi and 212Bi to demonstrate the in vivo stability of the label and its utility for 212Bi-radioimmunotherapy.

  配体 N-[2-氨基-3-(对异硫氰酸苯基)丙基]-(±)-反式-1,2-二氨基环己烷-N,N-2,N-3-五乙酸已合成并连接到IgG 和单克隆抗体 B72.3，并用 206Bi 和 212Bi 标记，以证明标记的体内稳定性及其在 212Bi 放射免疫治疗中的实用性。
• Synthesis of C-functionalized trans-cyclohexyldiethylenetriaminepenta-acetic acids for labelling of monoclonal antibodies with the bismuth-212 α-particle emitter
  作者：Martin W. Brechbiel、Otto A. Gansow

  DOI：10.1039/p19920001173

  日期：——

  Several C-functionalized cyclohexyldiethylenetriaminepenta-acetic acid derivatives have been prepared from (+/-)-4-nitrophenylalanine and (+/-)-trans-cyclohexane-1,2-diamine to produce two sets of diastereoisomeric enantiomers. A modification of this synthesis has been employed to prepare a single enantiomer in order to define the absolute configurations of the products.