1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(2,6-difluoro-benzoyl)-urea | 64862-26-6

• 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: 1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(2,6-difluoro-benzoyl)-urea
• 英文别名: N-[(4-chloro-6-methyl-pyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide；N-[(4-chloro-6-methylpyrimidin-2-yl)carbamoyl]-2,6-difluorobenzamide
• CAS: 64862-26-6
• 化学式: C₁₃H₉ClF₂N₄O₂
• 分子量: 326.69
• InChiKey: ZJRXTYAEMFKJQO-UHFFFAOYSA-N

物化性质

• 密度：
  1.527±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,6-二氟苯甲酸 在 ammonium hydroxide 作用下， 生成 1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(2,6-difluoro-benzoyl)-urea
  参考文献：
  名称：

  A novel class of potent influenza virus inhibitors: Polysubstituted acylthiourea and its fused heterocycle derivatives

  摘要：

  A series of polysubstituted and fused heterocycle derivatives of acylthiourea was prepared and the biological activity against influenza virus was evaluated. Of the analogues that demonstrated IC(50)s < 0.1 mu M, acylthiourea derivatives 16 and 50 were further investigated as candidates with the most potential for future development. The SAR of these compounds are discussed and they represent a novel class of highly potent and selective inhibitors of influenza virus. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.033

文献信息

• A novel class of potent influenza virus inhibitors: Polysubstituted acylthiourea and its fused heterocycle derivatives
  作者：Chuanwen Sun、Hai Huang、Meiqing Feng、Xunlong Shi、Xiaodong Zhang、Pei Zhou

  DOI：10.1016/j.bmcl.2005.09.033

  日期：2006.1

  A series of polysubstituted and fused heterocycle derivatives of acylthiourea was prepared and the biological activity against influenza virus was evaluated. Of the analogues that demonstrated IC(50)s < 0.1 mu M, acylthiourea derivatives 16 and 50 were further investigated as candidates with the most potential for future development. The SAR of these compounds are discussed and they represent a novel class of highly potent and selective inhibitors of influenza virus. (c) 2005 Published by Elsevier Ltd.