N-[4-[4-(3-cyclopentyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide | 936848-79-2

• 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: N-[4-[4-(3-cyclopentyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide
• CAS: 936848-79-2
• 化学式: C₂₅H₃₁N₇O₂S
• 分子量: 493.633
• InChiKey: UOSIQGBJFZTQCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• DRUG DISCOVERY METHODS
  申请人：GOLEC Julian M.C.

  公开号：US20110269732A1

  公开（公告）日：2011-11-03

  The present invention relates to drug discovery methods, particularly methods for assaying compounds for activity as Aurora kinase inhibitors. This invention also relates to a pharmacophore describing compounds that are able to promote a conformational change in the protein AuroraB and whose binding constant for the two-step process is given as Ki*. Finally, this invention also relates to compounds having the features of the pharmacophore.

  本发明涉及药物发现方法，特别是用于检测化合物作为枢纽激酶抑制剂活性的方法。该发明还涉及描述能够促使蛋白质AuroraB发生构象变化的化合物的药效团，并且其对于两步过程的结合常数被给定为Ki*。最后，该发明还涉及具有药效团特征的化合物。
• Aminopyrimidines useful as kinase inhibitors
  申请人：Binch Hayley

  公开号：US20070249031A1

  公开（公告）日：2007-10-25

  The present invention relates to compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising those compounds and methods of using the compounds and compositions in the treatment of various disease, conditions, and disorders. The invention also provides processes for preparing compounds of the invention.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含这些化合物的药学上可接受的组合物以及使用这些化合物和组合物治疗各种疾病、病况和障碍的方法。本发明还提供了制备本发明化合物的过程。
• AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS
  申请人：Binch Hayley

  公开号：US20120142660A1

  公开（公告）日：2012-06-07

  The present invention relates to compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutically acceptable compositions comprising those compounds and methods of using the compounds and compositions in the treatment of various disease, conditions, and disorders. The invention also provides processes for preparing compounds of the invention.

  本发明涉及一种作为蛋白激酶抑制剂有用的化合物。本发明还提供了包含这些化合物的药学上可接受的组合物以及使用这些化合物和组合物治疗各种疾病、病况和障碍的方法。本发明还提供了制备本发明化合物的方法。
• US7528142B2
  申请人：——

  公开号：US7528142B2

  公开（公告）日：2009-05-05
• US7767672B2
  申请人：——

  公开号：US7767672B2

  公开（公告）日：2010-08-03