(3S,4S)-3,4-Diazido-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester | 288314-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: (3S,4S)-3,4-Diazido-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester
• CAS: 288314-17-0
• 化学式: C₂₁H₂₃N₁₁O₄
• 分子量: 493.485
• InChiKey: RNVCWHFXVLPMKI-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.65
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  198.16
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (3S,4S)-3,4-Diazido-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester 在 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 0.17h， 生成 (3S,4S)-3,4-Bis-[((1R,2R)-2-propylcarbamoyl-cyclohexanecarbonyl)-amino]-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester
  参考文献：
  名称：

  A Synthetic Receptor Motif Designed for Extended Peptide Conformations

  摘要：

  The intrinsic flexibility of short peptides makes them difficult targets for molecular recognition. Although in general too short to form stable secondary structures, many are able to sample extended conformations. Using monomer cycloalkyl-1,2-trans-diamines alternated with cycloalkyl-1,2-trans-dicarboxylic acids, we have constructed a novel receptor motif to be complementary to extended tripeptides. Receptor design, synthesis, structural analysis and binding studies are presented. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00252-0
• 作为产物：
  描述：

  分散红 1 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 (3S,4S)-3,4-Diazido-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester
  参考文献：
  名称：

  A Synthetic Receptor Motif Designed for Extended Peptide Conformations

  摘要：

  The intrinsic flexibility of short peptides makes them difficult targets for molecular recognition. Although in general too short to form stable secondary structures, many are able to sample extended conformations. Using monomer cycloalkyl-1,2-trans-diamines alternated with cycloalkyl-1,2-trans-dicarboxylic acids, we have constructed a novel receptor motif to be complementary to extended tripeptides. Receptor design, synthesis, structural analysis and binding studies are presented. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00252-0