4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide | 1042947-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
• CAS: 1042947-53-4
• 化学式: C₁₉H₁₇N₅O₂S₂
• 分子量: 411.508
• InChiKey: HUADRJSOLJYWQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 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：
  125
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[3-(dimethylamino)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide 、 6-Guanidinobenzothiazole nitrate 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors

  摘要：

  The synthesis and structure-activity relationship of a novel series of aminopyrimidines are exemplified. Results of key compounds from within this series in the E-selectin reporter cell assay are also reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.062

文献信息

• Synthesis and structure–activity relationship of aminopyrimidine IKK2 inhibitors
  作者：Alistair H. Bingham、Richard J. Davenport、Richard Fosbeary、Lewis Gowers、Roland L. Knight、Christopher Lowe、David A. Owen、David M. Parry、Will R. Pitt

  DOI：10.1016/j.bmcl.2008.04.062

  日期：2008.6

  The synthesis and structure-activity relationship of a novel series of aminopyrimidines are exemplified. Results of key compounds from within this series in the E-selectin reporter cell assay are also reported. (C) 2008 Elsevier Ltd. All rights reserved.