(3S,4S,5S,6S)-4,5-Bis-benzyloxy-3,6-bis-methanesulfonyloxy-azepane-1-carboxylic acid tert-butyl ester | 182066-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3S,4S,5S,6S)-4,5-Bis-benzyloxy-3,6-bis-methanesulfonyloxy-azepane-1-carboxylic acid tert-butyl ester
• CAS: 182066-48-4
• 化学式: C₂₇H₃₇NO₁₀S₂
• 分子量: 599.723
• InChiKey: PQRYVRFQIFHKIH-CXSMSNRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  40.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  134.74
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (3S,4S,5S,6S)-4,5-Bis-benzyloxy-3,6-bis-methanesulfonyloxy-azepane-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 (1S,4S,7R,8R)-7,8-Bis-benzyloxy-2-[2-(1H-indol-3-yl)-ethyl]-2,5-diaza-bicyclo[2.2.2]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：

  N-benzyl-3,4-di-O-benzyl-1,6-dideoxy-1,6-imino-L-iditol 以 二氯甲烷 、 三乙胺 为溶剂， 生成 (3S,4S,5S,6S)-4,5-Bis-benzyloxy-3,6-bis-methanesulfonyloxy-azepane-1-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