Furan-3-carboxylic acid [4''-(cyclopropylmethyl-carbamoyl)-6-methoxy-biphenyl-3-yl]-amide | 1051935-62-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Furan-3-carboxylic acid [4''-(cyclopropylmethyl-carbamoyl)-6-methoxy-biphenyl-3-yl]-amide
• 英文别名: N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methoxyphenyl]furan-3-carboxamide
• CAS: 1051935-62-6
• 化学式: C₂₃H₂₂N₂O₄
• 分子量: 390.439
• InChiKey: JYORANCCBNDSNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-糠酸 、 N-cyclopropylmethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide 、 alkaline earth salt of/the/ methylsulfuric acid 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 生成 Furan-3-carboxylic acid [4''-(cyclopropylmethyl-carbamoyl)-6-methoxy-biphenyl-3-yl]-amide
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity

  摘要：

  The biphenyl amides (BPAs) are a novel series of p38alpha MAP kinase inhibitor. The optimisation of the series to give compounds that are potent in an in vivo disease model is discussed. SAR is presented and rationalised with reference to the crystallographic binding mode.

  DOI：

  10.1016/j.bmcl.2008.06.048

文献信息

• Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity
  作者：Richard Angell、Nicola M. Aston、Paul Bamborough、Jacky B. Buckton、Stuart Cockerill、Suzanne J. deBoeck、Chris D. Edwards、Duncan S. Holmes、Katherine L. Jones、Dramane I. Laine、Shila Patel、Penny A. Smee、Kathryn J. Smith、Don O. Somers、Ann L. Walker

  DOI：10.1016/j.bmcl.2008.06.048

  日期：2008.8

  The biphenyl amides (BPAs) are a novel series of p38alpha MAP kinase inhibitor. The optimisation of the series to give compounds that are potent in an in vivo disease model is discussed. SAR is presented and rationalised with reference to the crystallographic binding mode.