N-neopentyl-3-nitropyridin-2-amine | 1022146-57-1

• 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: N-neopentyl-3-nitropyridin-2-amine
• 英文别名: N-(2,2-Dimethylpropyl)-3-nitro-2-pyridinamine；N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
• CAS: 1022146-57-1
• 化学式: C₁₀H₁₅N₃O₂
• 分子量: 209.248
• InChiKey: UZMDZLJBIQFLKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-neopentyl-3-nitropyridin-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-neopentylpyridine-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 、 特戊胺 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-neopentyl-3-nitropyridin-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

• Preparation of 2-Aminopyridoimidazoles and 2-Aminobenzimidazoles via Phosphorus Oxychloride-Mediated Cyclization of Aminoureas
  作者：Rebecca E. Deasy、Catherine N. Slattery、Anita R. Maguire、Douglas P. Kjell、Mai Khanh N. Hawk、Jung Min Joo、Rui Lin Gu、Humphrey Moynihan

  DOI：10.1021/jo500360k

  日期：2014.4.18

  The novel preparation of 2-aminopyridoimidazoles and 2-aminobenzimidazoles via the cyclization of (2-aminopyridin-3-yl)urea and (2-aminophenyl)urea substrates in the presence of phosphorus oxychloride is described. This methodology is demonstrated for a range of urea substrates with aminoimidazole products obtained in good yields and with excellent levels of purity.