2.4-bis-(2.4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid ((R)-2-methanesulfonyl-1-methyl-ethyl)-amide | 927663-36-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2.4-bis-(2.4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid ((R)-2-methanesulfonyl-1-methyl-ethyl)-amide
• 英文别名: 2,4-Bis-(2,4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid ((R)-2-methanesulfonyl-1-methyl-ethyl)-amide；2,4-bis(2,4-difluorophenoxy)-N-[(2R)-1-methylsulfonylpropan-2-yl]pyrimidine-5-carboxamide
• CAS: 927663-36-3
• 化学式: C₂₁H₁₇F₄N₃O₅S
• 分子量: 499.443
• InChiKey: PCJMPWFZQGPMAN-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2.4-bis-(2.4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid ((R)-2-methanesulfonyl-1-methyl-ethyl)-amide 在 2,6-二甲基吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 [6-(2,4-difluoro-phenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-(1,1-dioxo-tetrahydro-1λ6-thiophen-3-yl)-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：

  2,4-bis-(2,4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid 在 甲酸 、 草酰氯 、 双氧水 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 2.4-bis-(2.4-difluoro-phenoxy)-pyrimidine-5-carboxylic acid ((R)-2-methanesulfonyl-1-methyl-ethyl)-amide
  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。
• Substituted pyrazolo[3,4-d]pyrimidines as p38 MAP kinase inhibitors
  申请人：Roche Palo Alto LLC

  公开号：US07601726B2

  公开（公告）日：2009-10-13

  Compounds of formula Ia or Ib: wherein A, W, X, Y, R1, R2, R3 and R4 are as defined herein. Also disclosed are methods of making the compounds and methods of using the compounds for treatment of p38 MAP kinase-mediated diseases.

  公式Ia或Ib的化合物：其中A、W、X、Y、R1、R2、R3和R4的定义如本文所述。还公开了制备该化合物的方法以及使用该化合物治疗p38 MAP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
• [EN] P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME<br/>[FR] INHIBITEURS DE LA MAP-KINASE P38 ET SES METHODES D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2007023110A2

  公开（公告）日：2007-03-01

  [EN] Compounds of formula Ia or Ib; wherein A, W, X, Y, R¹, R², R³ and R⁴ are as defined herein. Also disclosed are methods of making the compounds and methods of using the compounds for treatment of p38 MAP kinase-mediated diseases.
  [FR] L'invention concerne des composés de formule Ia ou Ib. Dans cette formule, A, W, X, Y, R¹, R², R³ et R⁴ sont définis dans la description. L'invention concerne également des méthodes de fabrication des composés susmentionnés et des méthodes d'utilisation de ces composés pour le traitement de maladies médiées par la MAP-kinase p38.
• 3-Amino-pyrazolo[3,4-d]pyrimidines as p38α kinase inhibitors: Design and development to a highly selective lead
  作者：Michael Soth、Sarah Abbot、Allassan Abubakari、Nidhi Arora、Humberto Arzeno、Roland Billedeau、Nolan Dewdney、Kieran Durkin、Sandra Frauchiger、Manjiri Ghate、David M. Goldstein、Ronald J. Hill、Andreas Kuglstatter、Fujun Li、Brad Loe、Kristen McCaleb、Joel McIntosh、Eva Papp、Jaehyeon Park、Martin Stahl、Man-Ling Sung、Rebecca Suttman、David C. Swinney、Paul Weller、Brian Wong、Hasim Zecic、Tobias Gabriel

  DOI：10.1016/j.bmcl.2011.03.098

  日期：2011.6

  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.