7-chloro-6-fluoro-1H-indazol-3-amine | 1379360-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 7-chloro-6-fluoro-1H-indazol-3-amine
• CAS: 1379360-07-2
• 化学式: C₇H₅ClFN₃
• 分子量: 185.588
• InChiKey: HVUNLZGPNAHKLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  7-chloro-6-fluoro-1H-indazol-3-amine 、 丁酰氯 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Rational design of potent GSK3β inhibitors with selectivity for Cdk1 and Cdk2

  摘要：

  From an HTS hit, a series of potent and selective inhibitors of GSK3 beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.114
• 作为产物：
  描述：

  3-氯-2,4-二氟苯腈 在 一水合肼 作用下， 以 乙醇 为溶剂， 以26%的产率得到7-chloro-6-fluoro-1H-indazol-3-amine
  参考文献：
  名称：

  Rational design of potent GSK3β inhibitors with selectivity for Cdk1 and Cdk2

  摘要：

  From an HTS hit, a series of potent and selective inhibitors of GSK3 beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.114

文献信息

• 4-Aminoindazolyl-dihydrofuro[3,4- d ]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase
  作者：Emily J. Hanan、Matt Baumgardner、Marian C. Bryan、Yuan Chen、Charles Eigenbrot、Peter Fan、Xiao-Hui Gu、Hank La、Shiva Malek、Hans E. Purkey、Gabriele Schaefer、Stephen Schmidt、Steve Sideris、Ivana Yen、Christine Yu、Timothy P. Heffron

  DOI：10.1016/j.bmcl.2015.11.078

  日期：2016.1

  The treatment of epidermal growth factor receptor (EGFR)-driven non-small cell lung cancers with the T790M resistance mutation remains a significant unmet medical need. We report the identification of 4-aminoindazolyl-dihydrofuro[3,4-d] pyrimidines as non-covalent inhibitors of EGFR, with excellent activity against the T790M resistance double mutants and initial single activating mutants. Using an optimization strategy focused on structure-based design and improving PK properties through metabolite identification, we obtained advanced leads with high oral exposure. (C) 2015 Elsevier Ltd. All rights reserved.