Boc-Val-His-OBzl | 714966-67-3

• 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: Boc-Val-His-OBzl
• 英文别名: benzyl 2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]acetate
• CAS: 714966-67-3
• 化学式: C₂₅H₃₅N₅O₆
• 分子量: 501.583
• InChiKey: RCHFHRKKZMUICP-FPOVZHCZSA-N

物化性质

• 沸点：
  793.9±60.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.85
• 重原子数：
  36.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  151.51
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  Boc-Val-His-OBzl 在 三氟乙酸 作用下， 反应 1.0h， 以99%的产率得到benzyl L-valyl-L-histidylglycinate
  参考文献：
  名称：

  The synthesis of immunomodulating peptide alloferon, the active principle of antiviral drug allokine-alpha

  摘要：

  Two variants of the synthesis of tridecapeptide alloferon, the active principle of antiviral preparation allokine-alpha, were developed on the basis of fragment condensation in solution or on the Merrifield resin. The solid phase variant of the synthesis was shown to be more technological; it allows the preparation of the product at a higher total yield (40% vs. 17% for conventional synthesis in solution from the starting derivatives of the C-terminal dipeptide). The by-products formed during the synthesis of alloferon were identified.

  DOI：

  10.1134/s1068162006020051
• 作为产物：
  描述：

  Boc-His(Boc)-Gly-OBzl 在 N-甲基吗啉 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 Boc-Val-His-OBzl
  参考文献：
  名称：

  The synthesis of immunomodulating peptide alloferon, the active principle of antiviral drug allokine-alpha

  摘要：

  Two variants of the synthesis of tridecapeptide alloferon, the active principle of antiviral preparation allokine-alpha, were developed on the basis of fragment condensation in solution or on the Merrifield resin. The solid phase variant of the synthesis was shown to be more technological; it allows the preparation of the product at a higher total yield (40% vs. 17% for conventional synthesis in solution from the starting derivatives of the C-terminal dipeptide). The by-products formed during the synthesis of alloferon were identified.

  DOI：

  10.1134/s1068162006020051