tert-butyl 4-(4-chloro-6-((2,3-dihydro-1H-inden-2-yl)oxy)-1,3,5-triazin-2-yl)piperazine-1-carboxylate | 1197341-85-7

• 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-(4-chloro-6-((2,3-dihydro-1H-inden-2-yl)oxy)-1,3,5-triazin-2-yl)piperazine-1-carboxylate
• CAS: 1197341-85-7
• 化学式: C₂₁H₂₆ClN₅O₃
• 分子量: 431.922
• InChiKey: GKZJZBLPBVXQDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  30.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  80.68
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-氨基吡啶 、 tert-butyl 4-(4-chloro-6-((2,3-dihydro-1H-inden-2-yl)oxy)-1,3,5-triazin-2-yl)piperazine-1-carboxylate 在 potassium carbonate 作用下， 以 二甲基亚砜 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：

  2-茚醇 、 tert-butyl 4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazine-1-carboxylate 在 sodium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 生成 tert-butyl 4-(4-chloro-6-((2,3-dihydro-1H-inden-2-yl)oxy)-1,3,5-triazin-2-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