Methyl 5'-amino-2'-methyl-1,1'-biphenyl-4-carboxylate | 515137-85-6

• 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: Methyl 5'-amino-2'-methyl-1,1'-biphenyl-4-carboxylate
• 英文别名: methyl 4-(5-amino-2-methylphenyl)benzoate
• CAS: 515137-85-6
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: MJOOCTQEOHSSEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  401.7±40.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 5'-amino-2'-methyl-1,1'-biphenyl-4-carboxylate 在 盐酸 、 potassium iodide 、 sodium nitrite 作用下， 以30%的产率得到
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR

  摘要：

  The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38 alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing oral activity in an in vivo disease model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.043
• 作为产物：
  描述：

  3-溴-4-甲基苯胺 、 4-甲氧羰基苯硼酸 在 四(三苯基膦)钯 caesium carbonate 作用下， 以 甲醚 、 乙二醇 为溶剂， 以50%的产率得到Methyl 5'-amino-2'-methyl-1,1'-biphenyl-4-carboxylate
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR

  摘要：

  The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38 alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing oral activity in an in vivo disease model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.043

文献信息

• 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors
  申请人：——

  公开号：US20040242868A1

  公开（公告）日：2004-12-02

  Compounds of formula (I): 1 or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  化学式为(I)的化合物1或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• Biphenyl-derivatives as p38-kinase inhibitors
  申请人：——

  公开号：US20040249161A1

  公开（公告）日：2004-12-09

  Compounds of formula (I), or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors. 1

  公式为(I)的化合物，或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• Biphenylcarboxylic amide derivatives as p38-kinase inhibitors
  申请人：Angell Martyn Richard

  公开号：US20050020540A1

  公开（公告）日：2005-01-27

  Compounds of formula (I): or pharmaceutically acceptable sats or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  化合物公式(I)的药物可接受盐或溶剂化物，以及它们作为药物的用途，特别是作为p38激酶抑制剂。
• Biphenylcarboxylic Amide Derivatives as p38 Kinase Inhibitors
  申请人：Angell Martyn Richard

  公开号：US20070105860A1

  公开（公告）日：2007-05-10

  Compounds of formula (I): or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  式(I)的化合物：或其药学上可接受的盐或溶剂合物，并且它们作为药物的用途，特别是作为p38激酶抑制剂。
• Biphenyl-Derivatives as p38 Kinase Inhibitors
  申请人：Angell Martyn Richard

  公开号：US20070142476A1

  公开（公告）日：2007-06-21

  Compounds of formula (I): or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors.

  公式（I）的化合物：或其药学上可接受的盐或溶剂，以及它们作为药物的用途，特别是作为p38激酶抑制剂。