N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)-nona-2,4,6,8-tetraenoyl]-guanidine | 1192594-60-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)-nona-2,4,6,8-tetraenoyl]-guanidine
• 英文别名: (2E,4E,6E,8E)-N-(diaminomethylidene)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• CAS: 1192594-60-7
• 化学式: C₂₁H₃₁N₃O
• 分子量: 341.497
• InChiKey: ZHSPVOYVLCKUAL-YCNIQYBTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  81.5
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  维A酸 、 胍 在 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 、 1,4-二氧六环 为溶剂， 反应 7.0h， 以82%的产率得到N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)-nona-2,4,6,8-tetraenoyl]-guanidine
  参考文献：
  名称：

  Design and synthesis of guanidine-containing novel retinoids

  摘要：

  Guanidine-containing new retinoids 1-4 were synthesized through the addition of guanidine to the activated carboxylic acids (retinoids) promoted by carbonyldiimidazole (CDI). A set of structurally and functionally diverse guanidine derivatives of retinoids were obtained in high yields (78-82%). We are in the process of studying the biological effect of these molecules on retinoic acid signaling pathways. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.008