(4-chlorophthalazin-1-yl)-(4-chloro-3-trifluoromethylphenyl)amine hydrochloride | 1133891-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (4-chlorophthalazin-1-yl)-(4-chloro-3-trifluoromethylphenyl)amine hydrochloride
• CAS: 1133891-12-9
• 化学式: C₁₅H₈Cl₂F₃N₃*ClH
• 分子量: 394.611
• InChiKey: SKTYZYAFGUICGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.12
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.81
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (4-chlorophthalazin-1-yl)-(4-chloro-3-trifluoromethylphenyl)amine hydrochloride 、 5-异喹啉硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.0h， 以20%的产率得到(4-chloro-3-trifluoromethylphenyl)-(4-isoquinolin-5-yl-phthalazin-1-yl)amine
  参考文献：
  名称：

  Arylphthalazines as potent, and orally bioavailable inhibitors of VEGFR-2

  摘要：

  A series of arylphthalazine derivatives were synthesized and evaluated as antagonists of VEGF receptor II (VEGFR-2). IM-094482 57, which was prepared in two steps from commercially available starting materials, was found to be a potent inhibitor of VEGFR-2 in enzymatic, cellular and mitogenic assays (comparable activity to ZD-6474). Additionally, 57 inhibited the related receptor, VEGF receptor I (VEGFR-1), and showed excellent exposure when dosed orally to female CD-1 mice. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.049
• 作为产物：
  描述：

  1,4-二氯酞嗪 、 2-氯-5-氨基三氟甲苯 以 乙醇 为溶剂， 反应 72.0h， 生成 (4-chlorophthalazin-1-yl)-(4-chloro-3-trifluoromethylphenyl)amine hydrochloride
  参考文献：
  名称：

  Arylphthalazines as potent, and orally bioavailable inhibitors of VEGFR-2

  摘要：

  A series of arylphthalazine derivatives were synthesized and evaluated as antagonists of VEGF receptor II (VEGFR-2). IM-094482 57, which was prepared in two steps from commercially available starting materials, was found to be a potent inhibitor of VEGFR-2 in enzymatic, cellular and mitogenic assays (comparable activity to ZD-6474). Additionally, 57 inhibited the related receptor, VEGF receptor I (VEGFR-1), and showed excellent exposure when dosed orally to female CD-1 mice. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.11.049