4-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)pyrimidin-2-yl)amino)benzenesulfonamide | 1572439-01-0

• 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: 4-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)pyrimidin-2-yl)amino)benzenesulfonamide
• 英文别名: 4-({4-[(2,3-dimethyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide；4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)；4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
• CAS: 1572439-01-0
• 化学式: C₁₉H₁₉N₇O₂S
• 分子量: 409.472
• InChiKey: WRJUIWPLARWCGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二甲基-6-氨基-2H-吲唑 在 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 异丙醇 为溶剂， 反应 18.0h， 生成 4-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)pyrimidin-2-yl)amino)benzenesulfonamide
  参考文献：
  名称：

  Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarials

  摘要：

  DOI：

  10.1016/j.bmc.2021.116348

文献信息

• Design, Synthesis and Biological Evaluation of Pazopanib Derivatives as Antitumor Agents
  作者：Yuping Jia、Jian Zhang、Jinhong Feng、Fuming Xu、Huili Pan、Wenfang Xu

  DOI：10.1111/cbdd.12243

  日期：2014.3

  A novel series of pazopanib derivatives were designed, synthesized, and evaluated for their inhibitory activity against a series of kinases including VEGFR‐2, EGFR, AKT1, ALK1, and ABL1. The anti‐angiogenic activities ex vivo of some compounds were also investigated. Compounds P2d and P2e demonstrated outstanding inhibitory activity against VEGFR‐2 and ABL1 and higher anti‐angiogenic activity compared with Pazopanib, the reference standard. These two compounds (P2d and P2e) could be used as novel lead compounds for further development of anticancer agents.
• Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarials
  作者：Borvornwat Toviwek、Oraphan Phuangsawai、Adchatawut Konsue、Supa Hannongbua、Jennifer Riley、Nicole Mutter、Mark Anderson、Lauren Webster、Irene Hallyburton、Kevin D Read、M. Paul Gleeson

  DOI：10.1016/j.bmc.2021.116348

  日期：2021.9