tert-butyl 4-(6-chloro-2-(pyridin-4-ylamino)pyrimidin-4-yl)piperazine-1-carboxylate | 1197341-90-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-(6-chloro-2-(pyridin-4-ylamino)pyrimidin-4-yl)piperazine-1-carboxylate
• CAS: 1197341-90-4
• 化学式: C₁₈H₂₃ClN₆O₂
• 分子量: 390.873
• InChiKey: OXBJIBYSGKUHPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  83.48
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(6-chloro-2-(pyridin-4-ylamino)pyrimidin-4-yl)piperazine-1-carboxylate 、 2-氨基茚 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model

  摘要：

  The pro. le of a series of triazine and pyrimidine based ROCK inhibitors is described. An initial binding mode was established based on a homology model and the proposed interactions are consistent with the observed SAR. Compounds from the series are potent in a cell migration assay and possess a favorable kinase selectivity. In vivo activity was demonstrated for compound 1A in a spontaneous hypertensive rat model. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.09.046
• 作为产物：
  描述：

  4-氨基吡啶 、 4-(2,6-二氯嘧啶-4-基)哌嗪-1-羧酸叔丁酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 tert-butyl 4-(6-chloro-2-(pyridin-4-ylamino)pyrimidin-4-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model

  摘要：

  The pro. le of a series of triazine and pyrimidine based ROCK inhibitors is described. An initial binding mode was established based on a homology model and the proposed interactions are consistent with the observed SAR. Compounds from the series are potent in a cell migration assay and possess a favorable kinase selectivity. In vivo activity was demonstrated for compound 1A in a spontaneous hypertensive rat model. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2009.09.046