(R)-tert-butyl 1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2,3,6-trifluorophenyl)propan-2-ylcarbamate | 1022146-29-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-tert-butyl 1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2,3,6-trifluorophenyl)propan-2-ylcarbamate
• 英文别名: tert-butyl N-[(2R)-1-oxo-1-[[3-(1-phenylcyclopropyl)imidazo[4,5-b]pyridin-2-yl]methylamino]-3-(2,3,6-trifluorophenyl)propan-2-yl]carbamate
• CAS: 1022146-29-7
• 化学式: C₃₀H₃₀F₃N₅O₃
• 分子量: 565.595
• InChiKey: NJGHOWOIRIXDKZ-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (R)-tert-butyl 1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2,3,6-trifluorophenyl)propan-2-ylcarbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  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：

  在 溶剂黄146 作用下， 生成 (R)-tert-butyl 1-oxo-1-((3-(1-phenylcyclopropyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2,3,6-trifluorophenyl)propan-2-ylcarbamate
  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