tribenzyl 3,3',3''-((3,3',3''-nitrilotris(propanoyl))tris(azanediyl))tripropionate | 1224934-58-0

• 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: tribenzyl 3,3',3''-((3,3',3''-nitrilotris(propanoyl))tris(azanediyl))tripropionate
• CAS: 1224934-58-0
• 化学式: C₃₉H₄₈N₄O₉
• 分子量: 716.832
• InChiKey: OCPVYKLLAYOTCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  52.0
• 可旋转键数：
  24.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  169.44
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  tribenzyl 3,3',3''-((3,3',3''-nitrilotris(propanoyl))tris(azanediyl))tripropionate 在 palladium on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Remodeling of Dynamic Structures of HIV-1 Envelope Proteins Leads to Synthetic Antigen Molecules Inducing Neutralizing Antibodies

  摘要：

  A synthetic antigen targeting membrane-fusion mechanism of HIV-1 has a newly designed template with C3-symmetric linkers mimicking N36 trimeric form. The antiserum produced by immunization of the N36 trimeric form antigen showed structural preference in binding to N36 trimer and stronger inhibitory activity against HIV-1 infection than the N36 monomer. Our results suggest an effective strategy of HIV vaccine design based on a relationship to the native structure of proteins involved in HIV fusion mechanisms.

  DOI：

  10.1021/bc900502z
• 作为产物：
  描述：

  3,3,3-氨三丙酸 、 β-丙氨酸苄酯对甲苯磺酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到tribenzyl 3,3',3''-((3,3',3''-nitrilotris(propanoyl))tris(azanediyl))tripropionate
  参考文献：
  名称：

  Remodeling of Dynamic Structures of HIV-1 Envelope Proteins Leads to Synthetic Antigen Molecules Inducing Neutralizing Antibodies

  摘要：

  A synthetic antigen targeting membrane-fusion mechanism of HIV-1 has a newly designed template with C3-symmetric linkers mimicking N36 trimeric form. The antiserum produced by immunization of the N36 trimeric form antigen showed structural preference in binding to N36 trimer and stronger inhibitory activity against HIV-1 infection than the N36 monomer. Our results suggest an effective strategy of HIV vaccine design based on a relationship to the native structure of proteins involved in HIV fusion mechanisms.

  DOI：

  10.1021/bc900502z