(4S,5R)-5-(6-Amino-purin-9-yl)-4-hydroxy-2-methylene-dihydro-furan-3-one | 69995-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: (4S,5R)-5-(6-Amino-purin-9-yl)-4-hydroxy-2-methylene-dihydro-furan-3-one
• 英文别名: (4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-2-methylideneoxolan-3-one；(4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylideneoxolan-3-one
• CAS: 69995-90-0
• 化学式: C₁₀H₉N₅O₃
• 分子量: 247.213
• InChiKey: ICKYWDRIPZOPOB-GMSGAONNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5'-deoxy-5'-difluoromethylthioadenosine 以 水 为溶剂， 生成 thioformyl fluoride 、 (4S,5R)-5-(6-Amino-purin-9-yl)-4-hydroxy-2-methylene-dihydro-furan-3-one
  参考文献：
  名称：

  5′-deoxy-5′-difluoromethylthioadenosine, a potent enzyme-activated acylating agent of S-adenosyl-L-homocysteine hydrolase

  摘要：

  5'-Deoxy-5'-difluoromethylthioadenosine (DFMTA) caused potent time-dependent inactivation of S-adenosyl-L-homocysteine hydrolase. The mechanism of this inactivation was investigated. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00151-0

文献信息

• 5′-deoxy-5′-difluoromethylthioadenosine, a potent enzyme-activated acylating agent of S-adenosyl-L-homocysteine hydrolase
  作者：M. Muzard、D. Guillerm、C. Vandenplas、G. Guillerm

  DOI：10.1016/s0960-894x(97)00151-0

  日期：1997.4

  5'-Deoxy-5'-difluoromethylthioadenosine (DFMTA) caused potent time-dependent inactivation of S-adenosyl-L-homocysteine hydrolase. The mechanism of this inactivation was investigated. (C) 1997 Elsevier Science Ltd.