(1R,5S,6R,7R)-6,7-Bis-benzyloxy-8-[2-(1H-indol-3-yl)-ethyl]-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester | 184781-22-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (1R,5S,6R,7R)-6,7-Bis-benzyloxy-8-[2-(1H-indol-3-yl)-ethyl]-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester
• CAS: 184781-22-4
• 化学式: C₃₅H₄₁N₃O₄
• 分子量: 567.728
• InChiKey: GHJNDJRYDHAFJN-VBWFMVIDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  42.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.03
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (1R,5S,6R,7R)-6,7-Bis-benzyloxy-8-[2-(1H-indol-3-yl)-ethyl]-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 以100%的产率得到(1R,5S,6R,7R)-6,7-Bis-benzyloxy-8-[2-(1H-indol-3-yl)-ethyl]-3,8-diaza-bicyclo[3.2.1]octane
  参考文献：
  名称：

  Design, synthesis and binding affinities of novel non-peptide mimics of somatostatin/sandostatin®

  摘要：

  Based on molecular modelling studies of Sandostatin(R), sugar-based derivatives I-VI were prepared as potential non-peptide mimics of somatostatin/Sandostatin(R). These compounds displaced 3-[I-125]-Tyr(11)-SRIF-14 from the somatostatin receptor on membranes of rat cerebral cortex with IC50 values between 10 and 15 mu M. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00289-2
• 作为产物：
  描述：

  以 乙醇 、 二氯甲烷 、 三乙胺 为溶剂， 生成 (1R,5S,6R,7R)-6,7-Bis-benzyloxy-8-[2-(1H-indol-3-yl)-ethyl]-3,8-diaza-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Design, synthesis and binding affinities of novel non-peptide mimics of somatostatin/sandostatin®

  摘要：

  Based on molecular modelling studies of Sandostatin(R), sugar-based derivatives I-VI were prepared as potential non-peptide mimics of somatostatin/Sandostatin(R). These compounds displaced 3-[I-125]-Tyr(11)-SRIF-14 from the somatostatin receptor on membranes of rat cerebral cortex with IC50 values between 10 and 15 mu M. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00289-2