4-((2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino)benzonitrile | 389137-04-6

• 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-((2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino)benzonitrile
• 英文别名: 4-((2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino) benzonitrile；4-[(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino]benzonitrile
• CAS: 389137-04-6
• 化学式: C₁₈H₁₉N₃O₂
• 分子量: 309.368
• InChiKey: ZAXUAQOUHNGKHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-((2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methylamino)benzonitrile 在 盐酸 、 氨 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 4-[(5-Hydroxy-4-hydroxymethyl-6-methyl-pyridin-3-ylmethyl)-amino]-benzamidine
  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 在 sodium tetrahydroborate 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 18.25h， 生成 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

文献信息

• Dual antiplatelet/anticoagulant pyridoxine analogs
  申请人：Haque Wasimul

  公开号：US20060094761A1

  公开（公告）日：2006-05-04

  Compounds with antiplatelet aggregation and anticoagulant characteristics for the treatment of cardiovascular, cerebrovascular, and cardiovascular related diseases and symptoms, are described. The methods are directed to administering pharmaceutical compositions comprising aryl sulfonic pyridoxine and/or substituted pyridoxine analogs.

  描述了具有抗血小板聚集和抗凝血特性的化合物，用于治疗心血管、脑血管和与心血管相关的疾病和症状。该方法涉及给药含有芳基磺酸吡ridoxine和/或取代吡ridoxine类似物的药物组合物。
• Substituted pyridoxines as anti-platelet agents
  申请人：Haque Wasimul

  公开号：US20060094749A1

  公开（公告）日：2006-05-04

  Compounds with antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related disease, are described. The methods are directed to administering pharmaceutical compositions comprising a pyridoxine analogue.

  描述了具有抗血小板聚集特性的化合物，用于治疗心血管和心血管相关疾病。这些方法涉及使用含有吡哆醇类似物的药物组合物。
• Substituted Pyridoxines As Anti-Platelet Agents
  申请人：Haque Wasimul

  公开号：US20080306108A1

  公开（公告）日：2008-12-11

  Compounds with antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related disease, are described. The methods are directed to administering pharmaceutical compositions comprising a pyridoxine analogue.

  本文描述了用于治疗心血管和心血管相关疾病的抗血小板聚集特性化合物。该方法涉及给予含有吡哆醇类似物的药物组合物。
• PYRIDOXINE AND PYRIDOXAL ANALOGUES AS CARDIOVASCULAR THERAPEUTICS
  申请人：Medicure International Inc.

  公开号：EP1299358B1

  公开（公告）日：2007-06-13
• US7425570B2
  申请人：——

  公开号：US7425570B2

  公开（公告）日：2008-09-16