1,N⁶-etheno-11-formyl-9-methyladenine

• 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: 1,N⁶-etheno-11-formyl-9-methyladenine
• 英文别名: 7-formyl-3-methylimidazo[2,1-i]purine；3-Methylimidazo[2,1-f]purine-7-carbaldehyde
• 化学式: C₉H₇N₅O
• 分子量: 201.187
• InChiKey: IUBSWYJCYAAUGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  9-甲基腺嘌呤 、 chloromalonaldehyde 以 水 为溶剂， 生成 1,N⁶-etheno-9-methyladenine 、 1,N⁶-etheno-11-formyl-9-methyladenine
  参考文献：
  名称：

  Reactions of Adenosine with Bromo- and Chloromalonaldehydes in Aqueous Solution: Kinetics and Mechanism

  摘要：

  Reactions of adenosine nucleosides with halogen substituted acetaldehydes and malonaldehydes have been studied and pseudo first-order rate constants have been determined. All the reactions yield 1,N-6-etheno adducts, and with malonaldehydes, in addition to this, 11-formyl-1,N-6-etheno adducts are also formed. Particular attention has been paid to the formation of the formyletheno products. The results obtained suggest that the reactions of adenine base with halogenated acetaldehydes and malonaldehydes are basically similar. It also seems that in reactions of halomalonaldehydes with adenosine, the etheno and formyletheno products are formed through the same initial reaction pathway i. e. the attack of the B-amino group of the adenine base at the carbonyl carbon atom of the aldehyde.

  DOI：

  10.1002/1099-0690(200006)2000:12<2315::aid-ejoc2315>3.0.co;2-g

文献信息

• Reactions of Adenosine with Bromo- and Chloromalonaldehydes in Aqueous Solution: Kinetics and Mechanism
  作者：Satu Mikkola、Niangoran Koissi、Kaisa Ketomäki、Susanna Rauvala、Kari Neuvonen、Harri Lönnberg

  DOI：10.1002/1099-0690(200006)2000:12<2315::aid-ejoc2315>3.0.co;2-g

  日期：2000.6

  Reactions of adenosine nucleosides with halogen substituted acetaldehydes and malonaldehydes have been studied and pseudo first-order rate constants have been determined. All the reactions yield 1,N-6-etheno adducts, and with malonaldehydes, in addition to this, 11-formyl-1,N-6-etheno adducts are also formed. Particular attention has been paid to the formation of the formyletheno products. The results obtained suggest that the reactions of adenine base with halogenated acetaldehydes and malonaldehydes are basically similar. It also seems that in reactions of halomalonaldehydes with adenosine, the etheno and formyletheno products are formed through the same initial reaction pathway i. e. the attack of the B-amino group of the adenine base at the carbonyl carbon atom of the aldehyde.