6'-deaminosinefungin | 126616-28-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: 6'-deaminosinefungin
• 英文别名: 5'-(4-amino-4-carboxybut-1-yl)-5'-deoxyadenosine；2-amino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
• CAS: 126616-28-2
• 化学式: C₁₅H₂₂N₆O₅
• 分子量: 366.377
• InChiKey: MRNYYTQNPWQSJB-HVMNINKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-Benzoyl-N,9-bis(trimethylsilyl)adenin 在 4-二甲氨基吡啶 、 三氟甲磺酸三甲基硅酯 、 氨 作用下， 以 甲醇 、 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 24.0h， 生成 6'-deaminosinefungin
  参考文献：
  名称：

  Relationship Between Chemical Structure and Antileishmanial Effect of Sinefungine Analogues

  摘要：

  The synthesis of various analogues of sinefungin (1), having structures 2-5, has been developed by means of an original approach which uses radical chemistry. The study of their biological activities revealed that for the antileishmanial effect of sinefungin, the presence of the amino group at C-6' in the (S)-configuration and the presence of the carboxyl group at C-9' are necessary.

  DOI：

  10.1080/07328319608007381

文献信息

• Synthesis of complex 6'-alkynyl-6'-dethia nucleoside analogs of S-adenosylhomocysteine as potential inhibitors of methyltransferases
  作者：Eric K. Yau、James K. Coward

  DOI：10.1021/jo00297a034

  日期：1990.5
• YAU, ERIC K.;COWARD, JAMES K., J. ORG. CHEM., 55,(1990) N0, C. 3147-3158
  作者：YAU, ERIC K.、COWARD, JAMES K.

  DOI：——

  日期：——
• Relationship Between Chemical Structure and Antileishmanial Effect of Sinefungine Analogues
  作者：P. Blanchard、M. S. El Kortbi、J. -L. Fourrey、F. Lawrence、M. Robert-Gero

  DOI：10.1080/07328319608007381

  日期：1996.6

  The synthesis of various analogues of sinefungin (1), having structures 2-5, has been developed by means of an original approach which uses radical chemistry. The study of their biological activities revealed that for the antileishmanial effect of sinefungin, the presence of the amino group at C-6' in the (S)-configuration and the presence of the carboxyl group at C-9' are necessary.