4-Chloro-N,6-dimethylnicotinamide | 473255-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Chloro-N,6-dimethylnicotinamide
• 英文别名: 4-chloro-6,N-dimethylnicotinamide；4-chloro-N,6-dimethylpyridine-3-carboxamide
• CAS: 473255-50-4
• 化学式: C₈H₉ClN₂O
• 分子量: 184.625
• InChiKey: LFNPDSTWBIWMAU-UHFFFAOYSA-N

物化性质

• 沸点：
  296.7±40.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  异丙苯酚 、 4-Chloro-N,6-dimethylnicotinamide 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2-isopropylphenoxy)-N,6-dimethylnicotinamide
  参考文献：
  名称：

  [4-(Phenoxy)pyridin-3-yl]methylamines: A new class of selective noradrenaline reuptake inhibitors

  摘要：

  4-( Phenoxy) pyridine- 3- yl] methylamines are disclosed as a new series of selective noradrenaline reuptake inhibitors ( NRI). Structure - activity relationships established that potent NRI activity could be achieved by appropriate substitution at the 2- position of the phenoxy ring. Compound 31 demonstrated potent NRI activity combined with good selectivity over serotonin and dopamine reuptake and no significant off-target pharmacology. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.036
• 作为产物：
  描述：

  4-氯-6-甲基烟酰氯 、 盐酸甲胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-Chloro-N,6-dimethylnicotinamide
  参考文献：
  名称：

  [4-(Phenoxy)pyridin-3-yl]methylamines: A new class of selective noradrenaline reuptake inhibitors

  摘要：

  4-( Phenoxy) pyridine- 3- yl] methylamines are disclosed as a new series of selective noradrenaline reuptake inhibitors ( NRI). Structure - activity relationships established that potent NRI activity could be achieved by appropriate substitution at the 2- position of the phenoxy ring. Compound 31 demonstrated potent NRI activity combined with good selectivity over serotonin and dopamine reuptake and no significant off-target pharmacology. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.036

文献信息

• Phenyl heterocyclyl ethers
  申请人：——

  公开号：US20030207857A1

  公开（公告）日：2003-11-06

  The invention relates to compounds of formula I 1

  该发明涉及公式I1的化合物。
• IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY
  申请人：HEINELT Uwe

  公开号：US20090192150A1

  公开（公告）日：2009-07-30

  The invention relates to compounds of the formula I having antithrombotic activity, which in particular inhibit the protease-activated receptor 1 (PAR1), processes for their preparation and use thereof as medicaments.

  本发明涉及一种具有抗血栓作用的化合物，其特别是抑制了蛋白酶活化受体1（PAR1），其化学式为I，其制备方法及其作为药物的用途。
• Imino-imidazo-pyridine derivatives having antithrombotic activity
  申请人：sanofi-aventis

  公开号：US07863269B2

  公开（公告）日：2011-01-04

  The invention relates to compounds of the formula I having antithrombotic activity, which in particular inhibit the protease-activated receptor 1 (PAR1), processes for their preparation and use thereof as medicaments.

  本发明涉及一种具有抗血栓活性的化合物，其特别抑制蛋白酶激活受体1（PAR1），制备这些化合物的方法以及将其用作药物的用途。
• Pyridyl-phenyl ether monoamine reuptake inhibitors: Impact of lipophilicity on dual SNRI pharmacology and off-target promiscuity
  作者：Gavin A. Whitlock、Paul V. Fish、M. Jonathan Fray、Alan Stobie、Florian Wakenhut

  DOI：10.1016/j.bmcl.2008.03.082

  日期：2008.5

  A novel series of pyridyl-phenyl ethers are disclosed, which possess dual 5-HT and NA reuptake pharmacology with good selectivity over dopamine reuptake inhibition. An analysis of the relationship between lipophilicity and pharmacology highlighted that potent dual SNRI activity was only achievable at c log P > 3.5. The series was found to possess significant polypharmacology issues, and we concluded that this off-target promiscuity was related to lipophilicity. (C) 2008 Elsevier Ltd. All rights reserved.
• IMINO-IMIDAZO-PYRIDINDERIVATE MIT ANTITHROMBOTISCHER AKTIVITÄT
  申请人：Sanofi-Aventis

  公开号：EP2054412A2

  公开（公告）日：2009-05-06