3-Nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine | 1022146-52-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-Nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
• CAS: 1022146-52-6
• 化学式: C₇H₆F₃N₃O₂
• 分子量: 221.139
• InChiKey: DXGGJMCXBDJUBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-Nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine 在 镍 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 N2-(2,2,2-trifluoroethyl)pyridine-2,3-diamine
  参考文献：
  名称：

  Imidazopyridines: A novel class of hNav1.7 channel blockers

  摘要：

  A series of imidazopyridines were evaluated as potential sodium channel blockers for the treatment of neuropathic pain. Several members were identified with good hNa(v)1.7 potency and excellent rat pharmacokinetic profiles. Compound 4 had good efficacy (52% and 41% reversal of allodynia at 2 and 4 h post-dose, respectively) in the Chung rat spinal nerve ligation (SNL) model of neuropathic pain when dosed orally at 10 mg/kg. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.047
• 作为产物：
  描述：

  2-氯-3-硝基吡啶 、 2,2,2-三氟乙基胺 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-Nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
  参考文献：
  名称：

  Imidazopyridines: A novel class of hNav1.7 channel blockers

  摘要：

  A series of imidazopyridines were evaluated as potential sodium channel blockers for the treatment of neuropathic pain. Several members were identified with good hNa(v)1.7 potency and excellent rat pharmacokinetic profiles. Compound 4 had good efficacy (52% and 41% reversal of allodynia at 2 and 4 h post-dose, respectively) in the Chung rat spinal nerve ligation (SNL) model of neuropathic pain when dosed orally at 10 mg/kg. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.047

文献信息

• Imidazopyridines: A novel class of hNav1.7 channel blockers
  作者：Clare London、Scott B. Hoyt、William H. Parsons、Brande S. Williams、Vivien A. Warren、Richard Tschirret-Guth、McHardy M. Smith、Birgit T. Priest、Erin McGowan、William J. Martin、Kathryn A. Lyons、Xiaohua Li、Bindhu V. Karanam、Nina Jochnowitz、Maria L. Garcia、John P. Felix、Brian Dean、Catherine Abbadie、Gregory J. Kaczorowski、Joseph L. Duffy

  DOI：10.1016/j.bmcl.2008.01.047

  日期：2008.3

  A series of imidazopyridines were evaluated as potential sodium channel blockers for the treatment of neuropathic pain. Several members were identified with good hNa(v)1.7 potency and excellent rat pharmacokinetic profiles. Compound 4 had good efficacy (52% and 41% reversal of allodynia at 2 and 4 h post-dose, respectively) in the Chung rat spinal nerve ligation (SNL) model of neuropathic pain when dosed orally at 10 mg/kg. (C) 2008 Elsevier Ltd. All rights reserved.