1-(3-bromo-4-methylphenyl)ethan-1-amine | 90485-17-9

• 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: 1-(3-bromo-4-methylphenyl)ethan-1-amine
• 英文别名: α-<3-Brom-4-methyl-phenyl>-aethylamin；1-(3-bromo-4-methylphenyl)ethanamine
• CAS: 90485-17-9
• 化学式: C₉H₁₂BrN
• 分子量: 214.105
• InChiKey: QZOVGJPADSENQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(3-bromo-4-methylphenyl)ethan-1-amine 在 cobalt(II) diacetate tetrahydrate 、 N,N-二异丙基乙胺 、 silver carbonate 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 偶氮二甲酸二乙酯 、 三甲基乙酸 作用下， 以 2,2,2-三氟乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 5-bromo-3,6-dimethylisoindolin-1-one
  参考文献：
  名称：

  [EN] MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK)
  [FR] MODULATEURS DE LA PROTÉINE KINASE ASSOCIÉE À RHO (ROCK)

  摘要：

  This invention relates to novel compounds and pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as modulators of Rho-associated protein kinase (ROCK), for example ROCK1 and/or ROCK2 inhibitors. This invention also relates to processes for preparing the compounds, uses of the compounds and methods of treatment employing the compounds. The compounds of the invention may therefore be used in treating ROCK-mediated diseases.

  公开号：

  WO2023139379A1
• 作为产物：
  描述：

  N-(1-(3-bromo-4-methylphenyl)ethyl)-2-methylpropane-2-sulfinamide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 1-(3-bromo-4-methylphenyl)ethan-1-amine
  参考文献：
  名称：

  [EN] MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK)
  [FR] MODULATEURS DE LA PROTÉINE KINASE ASSOCIÉE À RHO (ROCK)

  摘要：

  This invention relates to novel compounds and pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as modulators of Rho-associated protein kinase (ROCK), for example ROCK1 and/or ROCK2 inhibitors. This invention also relates to processes for preparing the compounds, uses of the compounds and methods of treatment employing the compounds. The compounds of the invention may therefore be used in treating ROCK-mediated diseases.

  公开号：

  WO2023139379A1