(S)-5-chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine | 915720-17-1

• 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: (S)-5-chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
• 英文别名: 5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]pyrimidine-2,4-diamine
• CAS: 915720-17-1
• 化学式: C₁₇H₁₇ClFN₇
• 分子量: 373.82
• InChiKey: OJZRYNOBGQMTOS-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  91.4
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-溴-5-氟吡啶 在 palladium 10% on activated carbon bis-triphenylphosphine-palladium(II) chloride 、 sodium tetrahydroborate 、 copper(l) iodide 、 sodium azide 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 、 三甲基硅咪唑 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 、 乙腈 、 正丁醇 为溶剂， 反应 124.0h， 生成 (S)-5-chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  WO2006/123113

  摘要：

  公开号：

文献信息

• Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors
  申请人：Wang Bin

  公开号：US20080287437A1

  公开（公告）日：2008-11-20

  This invention relates to novel compounds having the formula (I): and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment for cancer.

  本发明涉及具有以下公式（I）的新化合物，以及它们的药物组合物和使用方法。这些新化合物提供了治疗癌症的方法。
• PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS
  申请人：Wang Bin

  公开号：US20100210648A1

  公开（公告）日：2010-08-19

  This invention relates to novel compounds having the formula (I): and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment for cancer.

  这项发明涉及具有以下公式（I）的新化合物，以及它们的药物组合物和使用方法。这些新化合物可提供一种治疗癌症的方法。
• Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors
  申请人：AstraZeneca AB

  公开号：US08114989B2

  公开（公告）日：2012-02-14

  This invention relates to novel compounds having the formula (I): and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment for cancer.

  本发明涉及具有以下式子（I）的新化合物，以及它们的药物组成物和使用方法。这些新化合物为癌症提供了治疗。
• Identification of 4-Aminopyrazolylpyrimidines as Potent Inhibitors of Trk Kinases
  作者：Tao Wang、Michelle L. Lamb、David A. Scott、Haixia Wang、Michael H. Block、Paul D. Lyne、John W. Lee、Audrey M. Davies、Hai-Jun Zhang、Yanyi Zhu、Fei Gu、Yongxin Han、Bin Wang、Peter J. Mohr、Robert J. Kaus、John A. Josey、Ethan Hoffmann、Ken Thress、Terry MacIntyre、Haiyun Wang、Charles A. Omer、Dingwei Yu

  DOI：10.1021/jm800343j

  日期：2008.8.1

  The design, synthesis and biological evaluation of a series of 4-aminopyrazolylpyrimidines as potent Trk kinase inhibitors is reported. High-throughput screening identified a promising hit in the 4-aminopyrazolylpyrimidine chemotype. Initial optimization of the series led to more potent Trk inhibitors. Further optimization using two strategies resulted in significant improvement of physical properties and led to the discovery of IN (AZ-23), a potent, orally bioavailable Trk A/B inhibitor. The compound offers the potential to test the hypothesis that modulation of Trk activity will be of benefit in the treatment of cancer and other indications in vivo.
• Use 540
  申请人：Claesson Alf

  公开号：US20080108633A1

  公开（公告）日：2008-05-08

  This invention relates to new use of pyrazolyl derivatives and pharmaceutically acceptable salts thereof, which have been found to possess analgesic activity and are accordingly useful in the treatment or prophylaxis of pain conditions in the human or animal body, for example in the manufacture of medicaments for the treatment or prevention of pain in a warm-blooded animal such as man.