4-{[1-(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-meth-(E)-ylidene]-amino}-benzonitrile | 389137-03-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-{[1-(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-meth-(E)-ylidene]-amino}-benzonitrile
• 英文别名: 4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylideneamino]benzonitrile
• CAS: 389137-03-5
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: SKRMIYFJJDFKPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  67.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-{[1-(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-meth-(E)-ylidene]-amino}-benzonitrile 在 sodium tetrahydroborate 、 溶剂黄146 作用下， 反应 0.25h， 以93%的产率得到4-((2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino)benzonitrile
  参考文献：
  名称：

  Pyridoxine as a template for the design of antiplatelet agents

  摘要：

  The B-6 vitamers have been shown to display beneficial therapeutic effects in cardiovascular related disorders. The design of novel antiplatelet agents using pyridoxine as a template has led to the discovery of a class of novel cardio- and cerebro-protective agents. The present study describes the synthesis of several of these derivatives along with the antiplatelet and antiischemic activity of derivative 16. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.079
• 作为产物：
  描述：

  alpha4,3-异亚丙基异吡哆醛 、 对氨基苯腈 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 反应 18.0h， 以61%的产率得到4-{[1-(2,2,8-Trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-meth-(E)-ylidene]-amino}-benzonitrile
  参考文献：
  名称：

  Pyridoxine as a template for the design of antiplatelet agents

  摘要：

  The B-6 vitamers have been shown to display beneficial therapeutic effects in cardiovascular related disorders. The design of novel antiplatelet agents using pyridoxine as a template has led to the discovery of a class of novel cardio- and cerebro-protective agents. The present study describes the synthesis of several of these derivatives along with the antiplatelet and antiischemic activity of derivative 16. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.079

文献信息

• Pyridoxine as a template for the design of antiplatelet agents
  作者：Wenlian Zhang、John Yao、Vinh Pham、Tara Whitney、Doug Froese、Albert Friesen、Linda Stang、Chen Xu、Ashfaq Shuaib、James M. Diakur、Wasim Haque

  DOI：10.1016/j.bmcl.2004.06.079

  日期：2004.9

  The B-6 vitamers have been shown to display beneficial therapeutic effects in cardiovascular related disorders. The design of novel antiplatelet agents using pyridoxine as a template has led to the discovery of a class of novel cardio- and cerebro-protective agents. The present study describes the synthesis of several of these derivatives along with the antiplatelet and antiischemic activity of derivative 16. (C) 2004 Elsevier Ltd. All rights reserved.