HUBS-23 | 878288-54-1

• 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: HUBS-23
• 英文别名: (4-chlorophenyl)-(4-isoquinolin-5-yl-phthalazin-1-yl)amine；IM-094882；N-(4-chlorophenyl)-4-isoquinolin-5-ylphthalazin-1-amine
• CAS: 878288-54-1
• 化学式: C₂₃H₁₅ClN₄
• 分子量: 382.852
• InChiKey: RXWBASVYZOFLRF-UHFFFAOYSA-N

物化性质

• 沸点：
  615.6±55.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  HUBS-23 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 以160 mg的产率得到IM-094882
  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 在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 生成 HUBS-23
  参考文献：
  名称：

  Arylphthalazines. Part 2: 1-(Isoquinolin-5-yl)-4-arylamino phthalazines as potent inhibitors of VEGF receptors I and II

  摘要：

  A novel class of 1-(isoquinolin-5-yl)-4-arylamino-phthalazines is described as inhibitors of vascular endothelial growth factor receptor II (VEGFR-2). Many compounds display VEGFR-2 inhibitory activity with an IC50 as low as 0.017 mu M in an HTRF enzymatic assay. The compounds also inhibit VEGFR-1, a related tyrosine kinase. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.045