1,3,5-Triazine-2,4-diamine, N2-(2,3-dihydro-1H-inden-2-yl)-6-(1-piperazinyl)-N4-4-pyridinyl-, (Hydrochloride) (1:1) | 1197341-62-0

• 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: 1,3,5-Triazine-2,4-diamine, N2-(2,3-dihydro-1H-inden-2-yl)-6-(1-piperazinyl)-N4-4-pyridinyl-, (Hydrochloride) (1:1)
• 英文别名: 2-N-(2,3-dihydro-1H-inden-2-yl)-6-piperazin-1-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
• CAS: 1197341-62-0
• 化学式: C₂₁H₂₄N₈*ClH
• 分子量: 424.936
• InChiKey: UOSAXZXVNFYNRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90.9
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  C₂₆H₃₂N₈O₂ 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 1,3,5-Triazine-2,4-diamine, N2-(2,3-dihydro-1H-inden-2-yl)-6-(1-piperazinyl)-N4-4-pyridinyl-, (Hydrochloride) (1:1)
  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

文献信息

• Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model
  作者：Koc-Kan Ho、James R. Beasley、Laura Belanger、Darcey Black、Jui-Hsiang Chan、David Dunn、Bing Hu、Anthony Klon、Steven G. Kultgen、Michael Ohlmeyer、Susan M. Parlato、Peter C. Ray、Quynhchi Pham、Yajing Rong、Andrew L. Roughton、Tiffany L. Walker、Jane Wright、Kai Xu、Yan Xu、Limei Zhang、Maria Webb

  DOI：10.1016/j.bmcl.2009.09.046

  日期：2009.11

  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.