3-{2-[(2S,3R,4S,5R)-3,4-Bis-benzyloxy-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-methanesulfonyloxy-piperidin-1-yl]-ethyl}-indole-1-carboxylic acid tert-butyl ester | 182066-10-0

• 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: 3-{2-[(2S,3R,4S,5R)-3,4-Bis-benzyloxy-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-methanesulfonyloxy-piperidin-1-yl]-ethyl}-indole-1-carboxylic acid tert-butyl ester
• CAS: 182066-10-0
• 化学式: C₄₂H₅₈N₂O₈SSi
• 分子量: 779.083
• InChiKey: HVBCTQIIWDSCBB-SAVOZKLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.19
• 重原子数：
  54.0
• 可旋转键数：
  14.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105.53
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3-{2-[(2S,3R,4S,5R)-3,4-Bis-benzyloxy-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-methanesulfonyloxy-piperidin-1-yl]-ethyl}-indole-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 {(2S,3R,4R,5S)-5-[(6-Amino-hexylamino)-methyl]-3,4-bis-benzyloxy-1-[2-(1H-indol-3-yl)-ethyl]-pyrrolidin-2-yl}-methanol
  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：

  叔丁基二甲基氯硅烷 以 二氯甲烷 、 三乙胺 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-{2-[(2S,3R,4S,5R)-3,4-Bis-benzyloxy-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-methanesulfonyloxy-piperidin-1-yl]-ethyl}-indole-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