DHA | 306770-47-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: DHA
• 英文别名: Z-4,7,10,13,16,19-docosahexaenoic acid；(4Z,7Z,10Z,13Z,16Z,19Z)-henicosa-4,7,10,13,16,19-hexaenoic acid
• CAS: 306770-47-8
• 化学式: C₂₁H₃₀O₂
• 分子量: 314.468
• InChiKey: XIRAANDYDKTTNH-HJNPUEAESA-N

物化性质

• 沸点：
  433.4±24.0 °C(Predicted)
• 密度：
  0.948±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(Z-15-tetracosenoyloxy)-3-hydroxypropane 、 DHA 在 次磷酸 作用下， 反应 5.0h， 生成 1-(Z-4,7,10,13,16,19-docosahexaenoyloxy)-3-(Z-15-tetracosenoyloxy)-3-propane
  参考文献：
  名称：

  Nervonic acid derivatives, their preparation and use

  摘要：

  本发明涉及一种公式(I)CH3—(CH2)7—CH═CH—(CH2)13—C(O)—O—(CH2)3—OR的神经酸衍生物，其中R为氢（H）或羧酸残基；或化合物的盐，其中R为H；或其生物前体，前药。其中R为非H的化合物具有药理活性，特别是抗炎和免疫调节作用。其中R为H的化合物可用于制备药理活性衍生物。

  公开号：

  US06664406B1

文献信息

• Therapeutic and carrier molecules
  申请人：Ferrante Antonio

  公开号：US20090215895A1

  公开（公告）日：2009-08-27

  The present invention relates generally to compounds comprising a hydrocarbon chain portion and more particular to compounds comprising chemical derivatizations of the hydrocarbon chain which are useful therapeutic and prophylactic molecules. The present invention further provides compounds where the hydrocarbon chain portion is a carrier molecule for functional groups, moieties or agents. The compounds of the present invention are particularly useful in the treatment and prophylaxis of a range of conditions including cancers, protein kinase c(PKC)- or NFkB-related- or -associated conditions, cardiovascular conditions, pain, inflammatory conditions, vascular or immunological conditions such as diabetes, neurological conditions and infection by a range of viruses or prokaryotic or eukaryotic organisms. The present invention further provides pharmaceutical compositions and methods of medical treatment.
• Nervonic acid derivatives, their preparation and use
  申请人：Croda International PLC

  公开号：US06664406B1

  公开（公告）日：2003-12-16

  The present invention relates to a nervonic acid derivatives of formula (I) CH3—(CH2)7—CH═CH—(CH2)13—C(O)—O—(CH2)3—OR  (I) wherein R is hydrogen (H) or a residue of a carboxylic acid; or a salt of the compound where R is H; or a bioprecursor, prodrug thereof. Those compounds wherein R is other than H have pharmacological activity, in particular anti-inflammatory and immunomodulatory effects. Those compounds wherein R is H can be used to prepare the pharmacologically active derivatives.

  本发明涉及一种公式(I)CH3—(CH2)7—CH═CH—(CH2)13—C(O)—O—(CH2)3—OR的神经酸衍生物，其中R为氢（H）或羧酸残基；或化合物的盐，其中R为H；或其生物前体，前药。其中R为非H的化合物具有药理活性，特别是抗炎和免疫调节作用。其中R为H的化合物可用于制备药理活性衍生物。