[6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-((R)-2-methanesulfonyl-l-methyl-ethyl)-amine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-((R)-2-methanesulfonyl-l-methyl-ethyl)-amine
• 英文别名: [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-(2-methanesulfonyl-1-methyl-ethyl)-amine；6-(2,4-difluorophenoxy)-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine
• 化学式: C₁₅H₁₅F₂N₅O₃S
• 分子量: 383.379
• InChiKey: BIWWSRSPBBUSCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-((R)-2-methanesulfonyl-l-methyl-ethyl)-amine 生成 R6226 、 [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-((S)-2-methanesulfonyl-1-methyl-ethyl)-amine
  参考文献：
  名称：

  3-Amino-pyrazolo[3,4-d]pyrimidines as p38α kinase inhibitors: Design and development to a highly selective lead

  摘要：

  Learnings from previous Roche p38-selective inhibitors were applied to a new fragment hit, which was optimized to a potent, exquisitely selective preclinical lead with a good pharmacokinetic profile. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.098
• 作为产物：
  描述：

  6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-ylamine 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-((R)-2-methanesulfonyl-l-methyl-ethyl)-amine
  参考文献：
  名称：

  3-Amino-pyrazolo[3,4-d]pyrimidines as p38α kinase inhibitors: Design and development to a highly selective lead

  摘要：

  Learnings from previous Roche p38-selective inhibitors were applied to a new fragment hit, which was optimized to a potent, exquisitely selective preclinical lead with a good pharmacokinetic profile. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.098

文献信息

• p38 MAP kinase inhibitors and methods for using the same
  申请人：Arora Nidhi

  公开号：US20070054915A1

  公开（公告）日：2007-03-08

  Compounds of formula 1 a or 1 b: wherein A, W, X, Y, R 1 , R 2 , R 3 and R 4 are as defined herein. Also disclosed are methods of making the compounds and methods of using the compounds for treatment of p 38 MAP kinase-mediated diseases.

  公式1a或1b的化合物：其中A、W、X、Y、R1、R2、R3和R4如本文所定义。还公开了制备这些化合物的方法以及利用这些化合物治疗p38MAP激酶介导的疾病的方法。
• US7601726B2
  申请人：——

  公开号：US7601726B2

  公开（公告）日：2009-10-13