[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-(2-aminoacetyl)carbamate | 1242450-18-5

• 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: [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-(2-aminoacetyl)carbamate
• CAS: 1242450-18-5
• 化学式: C₂₀H₂₀N₄O₅S
• 分子量: 428.469
• InChiKey: CRZRNLXQCJLOQI-UHFFFAOYSA-N

物化性质

• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-(2-aminoacetyl)carbamate 以 水 为溶剂， 生成 海因 、 3-hydroxymethyl-1-(4-methanesulfonylphenyl)-5-phenyl-1H-pyrazole
  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：

  [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 [1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl N-(2-aminoacetyl)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.