| 600723-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 600723-78-2
• 化学式: C₂₃H₂₂N₂O₃
• 分子量: 374.439
• InChiKey: KRIHPCHUKQTSPP-UHFFFAOYSA-N

物化性质

• 沸点：
  490.9±45.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.64
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  73.58
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 4 A molecular sieve 、 tetramethylammonium triacetoxyborohydride 作用下， 以 四氢呋喃 为溶剂， 生成 N-(3,4-Dihydroxy-phenyl)-4-(2-hydroxy-benzylamino)-benzamide
  参考文献：
  名称：

  Effect of catechol derivatives on cell growth and lipoxygenase activity

  摘要：

  Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC50 similar to 1 muM) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00528-6
• 作为产物：
  描述：

  4-硝基儿茶酚 在 palladium on activated charcoal 氢气 、 对甲苯磺酸 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Effect of catechol derivatives on cell growth and lipoxygenase activity

  摘要：

  Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC50 similar to 1 muM) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00528-6