3-methyl-7-pentylxanthine

• 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-methyl-7-pentylxanthine
• 英文别名: 3-Methyl-7-pentyl-1H-purine-2,6(3H,7H)-dione；3-methyl-7-pentylpurine-2,6-dione
• 化学式: C₁₁H₁₆N₄O₂
• 分子量: 236.274
• InChiKey: GRQFYESAIZGKEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-7-pentylxanthine 在 4-二甲氨基吡啶 、 caesium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)ethyl 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：

  1-碘戊烷 、 3-甲基黄嘌呤 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以59 %的产率得到3-methyl-7-pentylxanthine
  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

• [EN] COMPOSITIONS FOR TREATMENT OF INFLAMMATION<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT D'UNE INFLAMMATION
  申请人：[en]METRO INTERNATIONAL BIOTECH, LLC

  公开号：WO2023122190A1

  公开（公告）日：2023-06-29

  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.