(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetyl chloride | 27757-87-5

• 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: (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetyl chloride
• CAS: 27757-87-5
• 化学式: C₉H₉ClN₄O₃
• 分子量: 256.648
• InChiKey: LVVYPDDBQMFOQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.89
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetyl chloride 在 苄基三甲基溴化铵 、 三乙胺 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.0h， 生成 3-(2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetoxy)propyl nicotinate
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR TREATMENT OF INFLAMMATION
  [FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE INFLAMMATION

  摘要：

  Disclosed herein are novel compositions and methods for the treatment of inflammation. Also described herein are methods for the identification of agents useful in the foregoing methods. The invention relates to methods for treatment and prevention of disorders associated with inflammation by administering agents that may also increase levels of NAD+, such as NAD+ precursors or agents involved in NAD+ biosynthesis.

  公开号：

  WO2023122190A1
• 作为产物：
  描述：

  tert-butyl 2-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate 在 甲酸 、 氯化亚砜 作用下， 以 水 、 乙腈 为溶剂， 反应 19.0h， 生成 (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-yl)-acetyl chloride
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR TREATMENT OF INFLAMMATION
  [FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE INFLAMMATION

  摘要：

  Disclosed herein are novel compositions and methods for the treatment of inflammation. Also described herein are methods for the identification of agents useful in the foregoing methods. The invention relates to methods for treatment and prevention of disorders associated with inflammation by administering agents that may also increase levels of NAD+, such as NAD+ precursors or agents involved in NAD+ biosynthesis.

  公开号：

  WO2023122190A1

文献信息

• Cacace; Zifferero, Annali di Chimica, 1955, vol. 45, p. 1026,1028,1029
  作者：Cacace、Zifferero

  DOI：——

  日期：——