[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]carbamate | 1242450-14-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]carbamate
• CAS: 1242450-14-1
• 化学式: C₂₆H₃₀N₄O₇S
• 分子量: 542.613
• InChiKey: GIYNSSOIJMGYQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Assembly/Disassembly of Drug Conjugates Using Imide Ligation

  摘要：

  A strategy is described that allows the easy assembly and controlled disassembly of drug conjugates. Imide ligation, that is, the reaction of a peptide thioacid with an azidoformate, is used for conjugate assembly. The imide bond participates also with an endopeptidase-triggered cyclization-based disassembly mechanism.

  DOI：

  10.1021/ol101049g
• 作为产物：
  描述：

  3-[[(1,1-二甲基乙氧基)羰基]氨基]-丙烷噻吩基酸 、 1-(4-methylsulfonylphenyl)-5-phenyl-1H-pyrazole-3-methyl azidoformate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]carbamate
  参考文献：
  名称：

  Assembly/Disassembly of Drug Conjugates Using Imide Ligation

  摘要：

  A strategy is described that allows the easy assembly and controlled disassembly of drug conjugates. Imide ligation, that is, the reaction of a peptide thioacid with an azidoformate, is used for conjugate assembly. The imide bond participates also with an endopeptidase-triggered cyclization-based disassembly mechanism.

  DOI：

  10.1021/ol101049g

文献信息

• Assembly/Disassembly of Drug Conjugates Using Imide Ligation
  作者：Reda Mhidia、Nicolas Bézière、Annick Blanpain、Nicole Pommery、Oleg Melnyk

  DOI：10.1021/ol101049g

  日期：2010.9.17

  A strategy is described that allows the easy assembly and controlled disassembly of drug conjugates. Imide ligation, that is, the reaction of a peptide thioacid with an azidoformate, is used for conjugate assembly. The imide bond participates also with an endopeptidase-triggered cyclization-based disassembly mechanism.