5-(6-amino-9H-purin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one | 1311378-32-1

• 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: 5-(6-amino-9H-purin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
• 英文别名: [8]-zingerine；5-(6-Aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one；5-(6-aminopurin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
• CAS: 1311378-32-1
• 化学式: C₂₄H₃₃N₅O₃
• 分子量: 439.558
• InChiKey: NLNHJQPOBHCYDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  8-姜烯酚 、 腺嘌呤 在 caesium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 72.0h， 以28%的产率得到5-(6-amino-9H-purin-9-yl)-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
  参考文献：
  名称：

  Identification of unprecedented purine-containing compounds, the zingerines, from ginger rhizomes (Zingiber officinale Roscoe) using a phase-trafficking approach

  摘要：

  Three unprecedented purine-containing compounds, named [6]-, [8]-, and [10]-zingerines as they are 5-(6-amino-9H-purin-9-yl) analogs of [6]-, [8]-, and [10]-gingerols, respectively, were isolated from a methanolic extract of ginger rhizomes using a phase trafficking-based method that utilizes solid phase reagents allowing for fast and selective simultaneous separation of basic, acidic, and neutral components of natural products extracts. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2011.03.007

文献信息

• Identification of unprecedented purine-containing compounds, the zingerines, from ginger rhizomes (Zingiber officinale Roscoe) using a phase-trafficking approach
  作者：Juan J. Araya、Huaping Zhang、Thomas E. Prisinzano、Lester A. Mitscher、Barbara N. Timmermann

  DOI：10.1016/j.phytochem.2011.03.007

  日期：2011.6

  Three unprecedented purine-containing compounds, named [6]-, [8]-, and [10]-zingerines as they are 5-(6-amino-9H-purin-9-yl) analogs of [6]-, [8]-, and [10]-gingerols, respectively, were isolated from a methanolic extract of ginger rhizomes using a phase trafficking-based method that utilizes solid phase reagents allowing for fast and selective simultaneous separation of basic, acidic, and neutral components of natural products extracts. (C) 2011 Elsevier Ltd. All rights reserved.