4-[[4-(1-Methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide | 1415509-25-9

• 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: 4-[[4-(1-Methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
• CAS: 1415509-25-9
• 化学式: C₁₈H₁₆N₆O₂S
• 分子量: 380.43
• InChiKey: ZFEYLWUPVGFOSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-乙酰基吲唑 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 16.67h， 生成 4-[[4-(1-Methylindazol-3-yl)pyrimidin-2-yl]amino]benzenesulfonamide
  参考文献：
  名称：

  Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents

  摘要：

  A series of N-phenyl-imidazo[4,5-b]pyridin-2-amines, 4-indazolyl-N-phenylpyrimidin-2-amines and N-phenyl-4-pyrazolo[3,4-b]pyridin-pyrimidin-2-amines have been synthesized. Their anti-proliferative activities were tested in HCT-116 human colon carcinoma and MCF-7 breast carcinoma cell lines. Many exhibited potent anti-proliferative and CDK9 inhibitory activities. A lead compound 18b demonstrated the ability to reduce the level of Mcl-1 anti-apoptotic protein, to activate caspase 3/7 and induce cancer cell apoptosis. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.09.034

文献信息

• Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents
  作者：Pawel M. Lukasik、Sherifa Elabar、Frankie Lam、Hao Shao、Xiangrui Liu、Abdullah Y. Abbas、Shudong Wang

  DOI：10.1016/j.ejmech.2012.09.034

  日期：2012.11

  A series of N-phenyl-imidazo[4,5-b]pyridin-2-amines, 4-indazolyl-N-phenylpyrimidin-2-amines and N-phenyl-4-pyrazolo[3,4-b]pyridin-pyrimidin-2-amines have been synthesized. Their anti-proliferative activities were tested in HCT-116 human colon carcinoma and MCF-7 breast carcinoma cell lines. Many exhibited potent anti-proliferative and CDK9 inhibitory activities. A lead compound 18b demonstrated the ability to reduce the level of Mcl-1 anti-apoptotic protein, to activate caspase 3/7 and induce cancer cell apoptosis. (C) 2012 Elsevier Masson SAS. All rights reserved.