(S)-4-Methylsulfanyl-2-{6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-butyric acid | 217655-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: (S)-4-Methylsulfanyl-2-{6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-butyric acid
• 英文别名: (2S)-2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-4-methylsulfanylbutanoic acid
• CAS: 217655-55-5
• 化学式: C₂₁H₃₆N₄O₅S₂
• 分子量: 488.673
• InChiKey: MEEWDZJUKQWXND-FPXQBCRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  32
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  187
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-4-Methylsulfanyl-2-{6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-butyric acid 、 5'-腺嘌呤核苷酸 在 吡啶 、 盐酸 、 N,N'-二环己基碳二亚胺 作用下， 以 水 为溶剂， 反应 3.5h， 生成 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) (S)-4-(methylthio)-2-(6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)butanoic anhydride
  参考文献：
  名称：

  A peptidyl transferase ribozyme capable of combinatorial peptide synthesis

  摘要：

  The formation of peptide bonds is a key step in both the chemical and biological synthesis of peptides. The ribozyme can use a wide range of amino acids as its substrate for the dipeptide synthesis. A library containing 29 peptides whose synthesis was catalyzed by this unique ribozyme was analyzed by mass spectrometry. These results implicate that ribozyme may have potential application in the peptide synthesis. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.018
• 作为产物：
  描述：

  L-蛋氨酸 、 N-生物素己酸 在 N-羟基丁二酰亚胺 、 N,N'-二环己基碳二亚胺 作用下， 生成 (S)-4-Methylsulfanyl-2-{6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-butyric acid
  参考文献：
  名称：

  A peptidyl transferase ribozyme capable of combinatorial peptide synthesis

  摘要：

  The formation of peptide bonds is a key step in both the chemical and biological synthesis of peptides. The ribozyme can use a wide range of amino acids as its substrate for the dipeptide synthesis. A library containing 29 peptides whose synthesis was catalyzed by this unique ribozyme was analyzed by mass spectrometry. These results implicate that ribozyme may have potential application in the peptide synthesis. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.018

文献信息

• [EN] PEPTIDE BOND FORMATION USING NUCLEIC ACID CATALYSTS<br/>[FR] FORMATION DE LIAISON PEPTIDIQUE UTILISANT DES CATALYSEURS D'ACIDE NUCLEIQUE
  申请人：——

  公开号：WO1999020753A2

  公开（公告）日：1999-04-29

  [EN] Nucleic acid catalysts with new motifs having catalytic activity, methods of synthesis, and use thereof are also described.
  [FR] La présente invention concerne des catalyseurs d'acide nucléique avec de nouveaux motifs structuraux ayant une activité catalytique, les méthodes de synthèse, et leur utilisation.