| 1378008-47-9

• 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
• CAS: 1378008-47-9
• 化学式: C₃₂H₄₇N₇O₁₁*C₄₂H₇₀O₃₅
• 分子量: 1840.76
• InChiKey: MLDPGAVRBJEQJE-XNQBSPNBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -17.3
• 重原子数：
  127.0
• 可旋转键数：
  21.0
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  805.98
• 氢给体数：
  27.0
• 氢受体数：
  44.0

反应信息

• 作为产物：
  描述：

  L-pyroglutamyl-Asp-Gly-Pro-Ile-Pro-Pro-OH 、 β-环糊精 以 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Study of the BPP7a peptide and its β-cyclodextrin complex: physicochemical characterization and complete sequence specific NMR assignments

  摘要：

  The BPP7a heptapeptide, p-Glu(1)Asp(2)Gly(3)Pro(4)Ile(5)Pro(6)Pro(7), forms an association complex with beta-cyclodextrin in a 1: 1 molar ratio. The peptide and its complex were characterized by circular dichroism (CD) and isothermal titration calorimetry (ITC), which showed a very weak interaction between the beta-cyclodextrin and the peptide. Assignments of all hydrogen resonances of the peptide alone and as a complex were made using H-1 nuclear magnetic resonance (NMR) experiments at 400 and 600 MHz. High resolution diffusion ordered spectroscopy (HR-DOSY) experiments were carried out to establish the self-aggregation state of BPP7a. It was also shown that the beta-cyclodextrin breaks the molecular clusters leading to complex formation. In addition, the anti-hypertensive activity of the BPP7a/beta-cyclodextrin complex was evaluated in spontaneous hypertensive rats (SHR), showing increased activity compared to that of pure BPP7a.

  DOI：

  10.1590/s0103-50532011000900020