[(4S,5S,6S)-6-methyl-4-[(4-nitrobenzoyl)amino]-5-(4-nitrobenzoyl)oxyoxan-2-yl] 4-nitrobenzoate | 398458-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(4S,5S,6S)-6-methyl-4-[(4-nitrobenzoyl)amino]-5-(4-nitrobenzoyl)oxyoxan-2-yl] 4-nitrobenzoate
• CAS: 398458-55-4
• 化学式: C₂₇H₂₂N₄O₁₂
• 分子量: 594.491
• InChiKey: FSUHLFVJLMQFOS-RTYMXAFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  228
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [(4S,5S,6S)-6-methyl-4-[(4-nitrobenzoyl)amino]-5-(4-nitrobenzoyl)oxyoxan-2-yl] 4-nitrobenzoate 在 盐酸 、 silver trifluoromethanesulfinate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.17h， 生成
  参考文献：
  名称：

  Synthesis of a new hapten for generating catalytic antibodies that activate doxorubicin prodrugs

  摘要：

  In order to assess a novel strategy for catalytic activation of a new prodrug of doxorubicin, a new hapten has been designed and prepared, which can be used to induce an immune response from which catalytic antibodies (cAbs) may be produced. (C), 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01681-1
• 作为产物：
  描述：

  methyl-3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside 在 盐酸 作用下， 以 吡啶 为溶剂， 反应 2.0h， 生成 [(4S,5S,6S)-6-methyl-4-[(4-nitrobenzoyl)amino]-5-(4-nitrobenzoyl)oxyoxan-2-yl] 4-nitrobenzoate
  参考文献：
  名称：

  Synthesis of a new hapten for generating catalytic antibodies that activate doxorubicin prodrugs

  摘要：

  In order to assess a novel strategy for catalytic activation of a new prodrug of doxorubicin, a new hapten has been designed and prepared, which can be used to induce an immune response from which catalytic antibodies (cAbs) may be produced. (C), 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01681-1

文献信息

• Synthesis of a new hapten for generating catalytic antibodies that activate doxorubicin prodrugs
  作者：Carlos Jiménez、Alfonso Tramontano

  DOI：10.1016/s0040-4039(01)01681-1

  日期：2001.10

  In order to assess a novel strategy for catalytic activation of a new prodrug of doxorubicin, a new hapten has been designed and prepared, which can be used to induce an immune response from which catalytic antibodies (cAbs) may be produced. (C), 2001 Elsevier Science Ltd. All rights reserved.