benzyl (2S,3S)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2-[[(2S,3S)-4-(6-aminopurin-9-yl)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoate | 214604-69-0

• 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: benzyl (2S,3S)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2-[[(2S,3S)-4-(6-aminopurin-9-yl)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoate
• CAS: 214604-69-0
• 化学式: C₃₄H₄₂N₁₄O₁₀
• 分子量: 806.795
• InChiKey: LOQMGVVZWJRNTH-ZZTDLJEGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  58
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  347
• 氢给体数：
  9
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  benzyl (2S,3S)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2-[[(2S,3S)-4-(6-aminopurin-9-yl)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Application of l-threonine aldolase-catalyzed reaction for the preparation of a peptidic mimetic of RNA: A leading compound of Vero-toxin inhibitors

  摘要：

  A peptidic mimetic of RNA having a guanine-adenine-guanine code as a base sequence was prepared as a leading compound of Vero-toxin inhibitors. The synthesized hexapeptide is composed from two gamma-guanyl-beta-hydroxy-alpha-L-amino acids and one gamma-adenyl-beta-hydroxy-alpha-L-amino acid, which were prepared by using L-threonine aldolase-catalyzed reaction, in addition to three glycines. On designing this peptide, the beta-hydroxyl groups in the novel cc-amino acids are compared to the 2'-hydroxyl groups of RNA, and glycine was chosen as the mimic of the phosphate groups in the RNA backbone. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01567-6
• 作为产物：
  描述：

  benzyl (2S,3S)-2-amino-4-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxybutanoate 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 benzyl (2S,3S)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2-[[(2S,3S)-4-(6-aminopurin-9-yl)-3-hydroxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]acetyl]amino]-3-hydroxybutanoate
  参考文献：
  名称：

  Application of l-threonine aldolase-catalyzed reaction for the preparation of a peptidic mimetic of RNA: A leading compound of Vero-toxin inhibitors

  摘要：

  A peptidic mimetic of RNA having a guanine-adenine-guanine code as a base sequence was prepared as a leading compound of Vero-toxin inhibitors. The synthesized hexapeptide is composed from two gamma-guanyl-beta-hydroxy-alpha-L-amino acids and one gamma-adenyl-beta-hydroxy-alpha-L-amino acid, which were prepared by using L-threonine aldolase-catalyzed reaction, in addition to three glycines. On designing this peptide, the beta-hydroxyl groups in the novel cc-amino acids are compared to the 2'-hydroxyl groups of RNA, and glycine was chosen as the mimic of the phosphate groups in the RNA backbone. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01567-6