2,6-bis(3-((dimethylamino)methyl)-4-hydroxybenzylidene)cyclohexanone | 908075-90-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,6-bis(3-((dimethylamino)methyl)-4-hydroxybenzylidene)cyclohexanone
• 英文别名: 2,6-Bis[[3-[(dimethylamino)methyl]-4-hydroxyphenyl]methylidene]cyclohexan-1-one
• CAS: 908075-90-1
• 化学式: C₂₆H₃₂N₂O₃
• 分子量: 420.552
• InChiKey: UJECSONHGKGSEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  64
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环己酮 、 对羟基苯甲醛 在 盐酸 作用下， 以 甲醇 、 水 、 溶剂黄146 为溶剂， 反应 74.0h， 生成 2,6-bis(3-((dimethylamino)methyl)-4-hydroxybenzylidene)cyclohexanone
  参考文献：
  名称：

  Design and synthesis of dimethylaminomethyl-substituted curcumin derivatives/analogues: Potent antitumor and antioxidant activity, improved stability and aqueous solubility compared with curcumin

  摘要：

  A series of dimethylaminomethyl-substituted curcumin derivatives/analogues were designed and synthesized. All compounds effectively inhibited HepG2, SGC-7901, A549 and HCT-116 tumor cell lines proliferation in MTT assay. Particularly, compounds 2a and 3d showed much better activity than curcumin against all of the four tumor cell lines. Antioxidant test revealed that these compounds had higher free radical scavenging activity than curcumin towards both DPPH and galvinoxyl radicals. Furthermore, the aqueous solubility and stability of the target compounds were also significantly improved compared with curcumin. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.12.098