pyridinebetaine A | 52578-48-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: pyridinebetaine A
• 英文别名: 3-carboxy-1-(2-hydroxy-ethyl)-pyridinium betaine；3-Carboxy-1-(2-hydroxy-aethyl)-pyridinium-betain；3-carboxylato-1-(2-hydroxyethyl)pyridinium；1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate
• CAS: 52578-48-0
• 化学式: C₈H₉NO₃
• 分子量: 167.164
• InChiKey: NMLHUTLOFSMVHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  1-(2-hydroxyethyl)-3-methoxycarbonylpyridinium bromide 在 吡啶 、 lithium iodide 作用下， 反应 4.0h， 以315 mg的产率得到pyridinebetaine A
  参考文献：
  名称：

  Synthesis and biological evaluation of pyridinebetaine A and B

  摘要：

  The synthesis of the marine natural products pyridinebetaine A and B is reported. The biological evaluation of pyridinebetaine A and B and several analogues as cytotoxic, antifungal and antiviral agents is also described. Unfortunately, none of the compounds tested showed relevant antifungal or cytotoxic activity. Only pyridinebetaine B reduced the Herpes simplex virus type 1 virus replication, though only weakly.

  DOI：

  10.1080/14786410802573800

文献信息

• Windmueller et al., Journal of Biological Chemistry, 1959, vol. 234, p. 889,891
  作者：Windmueller et al.

  DOI：——

  日期：——
• Synthesis and biological evaluation of pyridinebetaine A and B
  作者：Miguel A. González、Julieth Correa-Royero、Ana Mesa、Liliana Betancur-Galvis

  DOI：10.1080/14786410802573800

  日期：2009.11.10

  The synthesis of the marine natural products pyridinebetaine A and B is reported. The biological evaluation of pyridinebetaine A and B and several analogues as cytotoxic, antifungal and antiviral agents is also described. Unfortunately, none of the compounds tested showed relevant antifungal or cytotoxic activity. Only pyridinebetaine B reduced the Herpes simplex virus type 1 virus replication, though only weakly.