N-[(1S,2S)-2-(2,5-dichloropyrimidin-4-ylamino)cyclohexyl]methanesulfonamide | 1315305-97-5

• 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: N-[(1S,2S)-2-(2,5-dichloropyrimidin-4-ylamino)cyclohexyl]methanesulfonamide
• CAS: 1315305-97-5
• 化学式: C₁₁H₁₆Cl₂N₄O₂S
• 分子量: 339.246
• InChiKey: ICZDJSAIUCXHSC-IUCAKERBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  83.98
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-甲氧基-4-(4-吗啉)苯胺 、 N-[(1S,2S)-2-(2,5-dichloropyrimidin-4-ylamino)cyclohexyl]methanesulfonamide 以 异丙醇 为溶剂， 反应 6.0h， 生成 N-{(1S,2S)-2-[5-chloro-2-(2-methoxy-4-morpholin-4-yl-phenylamino)pyrimidin-4-ylamino]cyclohexyl}methanesulfonamide
  参考文献：
  名称：

  Methanesulfonamido-cyclohexylamine derivatives of 2,4-diaminopyrimidine as potent ALK inhibitors

  摘要：

  The incorporation of R,R-1,2-diaminocyclohexane at C4 in a series of 2,4-diaminopyrimidines led to a number of ALK inhibitors in which optimized activity was achieved by conversion of the 2-amino group into a methanesulfonamide. Tumor growth inhibition was observed when an orally bioavailable analog was evaluated in a Karpas-299 tumor xenograft mouse model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.040
• 作为产物：
  描述：

  (1S,2S)-(+)-1,2-环己二胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.16h， 生成 N-[(1S,2S)-2-(2,5-dichloropyrimidin-4-ylamino)cyclohexyl]methanesulfonamide
  参考文献：
  名称：

  Methanesulfonamido-cyclohexylamine derivatives of 2,4-diaminopyrimidine as potent ALK inhibitors

  摘要：

  The incorporation of R,R-1,2-diaminocyclohexane at C4 in a series of 2,4-diaminopyrimidines led to a number of ALK inhibitors in which optimized activity was achieved by conversion of the 2-amino group into a methanesulfonamide. Tumor growth inhibition was observed when an orally bioavailable analog was evaluated in a Karpas-299 tumor xenograft mouse model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.040