sodium 3-(4-morpholinyl)propanoate | 214343-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: sodium 3-(4-morpholinyl)propanoate
• 英文别名: Sodium;3-morpholin-4-ylpropanoate；sodium;3-morpholin-4-ylpropanoate
• CAS: 214343-15-4
• 化学式: C₇H₁₂NO₃*Na
• 分子量: 181.167
• InChiKey: XOLCDFHSFYOUCQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.54
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-吗啉丙酸甲酯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.17h， 以88%的产率得到sodium 3-(4-morpholinyl)propanoate
  参考文献：
  名称：

  Designing Anti-inflammatory Drugs from Parasitic Worms: A Synthetic Small Molecule Analogue of the Acanthocheilonema viteae Product ES-62 Prevents Development of Collagen-Induced Arthritis

  摘要：

  In spite of increasing evidence that parasitic worms may protect humans from developing allergic and autoimmune diseases and the continuing identification of defined helminth-derived immunomodulatory molecules, to date no new anti-inflammatory drugs have been developed from these organisms. We have approached this matter in a novel manner by synthesizing a library of drug-like small molecules based upon phosphorylcholine, the active moiety of the anti-inflammatory Acanthocheilonema viteae product, ES-62, which as an immunogenic protein is unsuitable for use as a drug. Following preliminary in vitro screening for inhibitory effects responses, a sulfone-containing phosphorylcholine analogue (11a) was selected for testing in collagen-induced arthritis (CIA). Testing revealed that 11a was as effective as ES-62 in protecting DBA/1 mice from developing CIA and mirrored its mechanism of action in downregulating the TLR/IL-1R transducer, MyD88. 11a is thus a novel prototype for anti-inflammatory drug development. on relevant macrophage cytokine an in vivo model of inflammation,

  DOI：

  10.1021/jm401251p