2'-methyl-5'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid cyclopropylmethyl-amide | 515139-96-5

• 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: 2'-methyl-5'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid cyclopropylmethyl-amide
• 英文别名: N-(Cyclopropylmethyl)-2'-Methyl-5'-(5-Methyl-1,3,4-Oxadiazol-2-Yl)biphenyl-4-Carboxamide；N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
• CAS: 515139-96-5
• 化学式: C₂₁H₂₁N₃O₂
• 分子量: 347.417
• InChiKey: FOHZGCHKLPIBBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2'-methyl-5'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid cyclopropylmethyl-amide 、 碘甲烷 生成 N-(Cyclopropylmethyl)-N-methyl-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide
  参考文献：
  名称：

  2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors

  摘要：

  化合物的公式（I）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。

  公开号：

  US20070112046A1
• 作为产物：
  描述：

  环丙基甲胺 、 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carbonyl chloride 在 silica 、 Dichloromethane ethanol ammonia 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以to give N-(cyclopropylmethyl)-2′-methyl-5′-(5-methyl-1,3,4-oxadiazol-2-yl)-1,1′-biphenyl-4-carboxamide as a white foam (75 mg, 59%)的产率得到2'-methyl-5'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid cyclopropylmethyl-amide
  参考文献：
  名称：

  2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors

  摘要：

  化合物的公式（I）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。

  公开号：

  US20070112046A1

文献信息

• Negishi Cross-Couplings Compatible with Unprotected Amide Functions
  作者：Georg Manolikakes、M.Sc. Zhibing Dong、Herbert Mayr、Jinshan Li、Paul Knochel

  DOI：10.1002/chem.200802349

  日期：2009.1.26

  Mild mannered: Unprotected amides and sulfonamides containing aryl bromides and iodides undergo, in the presence of S‐PHOS, smooth Negishi cross‐couplings with various zinc organometallic reagents, allowing the preparation of pharmaceutically relevant molecules (see scheme; S‐PHOS=2‐dicyclohexylphosphino‐2′,6′‐dimethoxybiphenyl).

  温和的态度：在S‐PHOS存在下，未保护的包含芳基溴化物和碘化物的酰胺和磺酰胺会与各种锌有机金属试剂进行平滑的Negishi交叉偶联，从而可制备药学上相关的分子（参见方案; S‐PHOS = 2‐二环己基膦基2'，6'-二甲氧基联苯）。
• [EN] 2'-METHYL-5'-1,3,4-OXADIAZOL-2-YL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS<br/>[FR] DERIVES DE 2'METHYL-5'-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE UTILISES COMME INHIBITEURS DE LA KINASE P38
  申请人：GLAXO GROUP LTD

  公开号：WO2003032987A1

  公开（公告）日：2003-04-24

  Compounds of formula (I) wherein when m is 0 to 4 R1 is selected from C1-6alkyl, C3-7cycloalkyl, C2-6alkenyl, -SO2NR4R5, -CONR4R5 and -COOR4; and when m is 2 to 4 R1 is additionally selected from C1-6alkoxy, hydroxy, NR4R5, -NR4SO2R5, -NR4SOR5, -NR4COR5, and -NR4CONR4R5; R2 is selected from hydrogen, C1-6alkyl and -(CH2)n-C3-7cycloalkyl; R3 is the group R6 is selected from hydrogen and C1-4alkyl; U is selected from methyl and halogen; X and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4 wherein each carbon atom of the resulting carbon chain may be optionally substituted with one or two groups selected independently from C1-6alkyl; n is selected from 0, 1, 2 and 3; r is selected from 0, 1 and 2; 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，其中当m为0至4时，R1选自C1-6烷基，C3-7环烷基，C2-6烯基，-SO2NR4R5，-CONR4R5和-COOR4; 当m为2至4时，R1还从C1-6烷氧基，羟基，NR4R5，-NR4SO2R5，-NR4SOR5，-NR4COR5和-NR4CONR4R5中选择; R2选自氢，C1-6烷基和-(CH2)n-C3-7环烷基; R3是R6基团，选自氢和C1-4烷基; U选自甲基和卤素; X和Y各自独立地选自氢，甲基和卤素; m选自0、1、2、3和4，其中所得碳链的每个碳原子可以选择性地用一个或两个C1-6烷基中的基团替代; n选自0、1、2和3; r选自0、1和2; 或其药学上可接受的盐或溶剂，以及它们作为药物的应用，特别是作为p38激酶抑制剂。
• 2'-Methyl-5'-(1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors
  申请人：Angell Martyn Richard

  公开号：US20050090491A1

  公开（公告）日：2005-04-28

  Compounds of formula (I) wherein when m is 0 to 4 R1 is selected from C1-6alkyl, C3-7cycloalkyl, C2-6alkenyl, —SO2NR4R5, —CONR4R5 and —COOR4; and when m is 2 to 4 R1 is additionally selected from C1-6alkoxy, hydroxy, NR4R5, —NR4SO2R5, —NR4SOR5, —NR4COR5, and —NR4CONR4R5; R2 is selected from hydrogen, C1-6alkyl and —(CH2)n—C3-7cycloalkyl; R3 is the group R6 is selected from hydrogen and C1-4alkyl; U is selected from methyl and halogen; X and Y are each selected independently from hydrogen, methyl and halogen; m is selected from 0, 1, 2, 3 and 4 wherein each carbon atom of the resulting carbon chain may be optionally substituted with one or two groups selected independently from C1-6alkyl; n is selected from 0, 1, 2 and 3; r is selected from 0, 1 and 2; 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，其中当m为0至4时，R1从C1-6烷基，C3-7环烷基，C2-6烯基，-SO2NR4R5，-CONR4R5和-COOR4中选择；当m为2至4时，R1还从C1-6烷氧基，羟基，NR4R5，-NR4SO2R5，-NR4SOR5，-NR4COR5和-NR4CONR4R5中选择；R2从氢，C1-6烷基和-(CH2)n-C3-7环烷基中选择；R3为R6基团，R6基团从氢和C1-4烷基中选择；U从甲基和卤素中选择；X和Y各自独立地从氢，甲基和卤素中选择；m从0、1、2、3和4中选择，其中所得碳链的每个碳原子可以选择性地用一个或两个独立选择的C1-6烷基取代；n从0、1、2和3中选择；r从0、1和2中选择；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。
• 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors
  申请人：Angell Martyn Richard

  公开号：US20070112046A1

  公开（公告）日：2007-05-17

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

  化合物的公式（I）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。
• Medicament for treatment of liver cancer
  申请人：Zender Lars

  公开号：US10441577B2

  公开（公告）日：2019-10-15

  The invention provides a pharmaceutical composition comprising Sorafenib in combination with an inhibitor of a specific kinase inhibitor as a medicament for the treatment or prevention of liver cancer.

  本发明提供了一种药物组合物，该组合物由索拉非尼与一种特异性激酶抑制剂组合而成，作为治疗或预防肝癌的药物。