t-Butyl 2-(3-bromo-4-methylbenzoyl)hydrazine-1-carboxylate | 515140-22-4

• 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: t-Butyl 2-(3-bromo-4-methylbenzoyl)hydrazine-1-carboxylate
• 英文别名: tert-butyl N-[(3-bromo-4-methylbenzoyl)amino]carbamate
• CAS: 515140-22-4
• 化学式: C₁₃H₁₇BrN₂O₃
• 分子量: 329.194
• InChiKey: GLPKYMASZKIKLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  t-Butyl 2-(3-bromo-4-methylbenzoyl)hydrazine-1-carboxylate 在 三氟乙酸 作用下， 以56%的产率得到3-溴-4-甲基苯并肼
  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：

  肼基甲酸叔丁酯 、 3-溴-4-甲基苯甲酸 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 以48%的产率得到t-Butyl 2-(3-bromo-4-methylbenzoyl)hydrazine-1-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

• [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-carboxaide derivatives and their use as p38 kinase inhibitors
  申请人：——

  公开号：US20040266839A1

  公开（公告）日：2004-12-30

  Compounds of formula (I), wherein R 1 is a phenyl group which may be optionally substituted; R 2 is selected from hydrogen, C 1-6 alkyl and (CH 2 ) p —C 3-7 cycloalkyl; R 3 is the group: (Formula II), R 4 is selected from hydrogen and C 1-4 alkyl; 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, and may be optionally substituted with up to two groups selected independently from C 1-6 alkyl; n is selected from 0, 1 and 2; p is selected from 0, 1 and 2; or pharmaceutically acceptable salts or solvates thereof, and their use as pharmaceuticals, particularly as p38 kinase inhibitors. 1

  公式（I）的化合物，其中R1是苯基，可以选择性地被取代；R2选自氢、C1-6烷基和(CH2)p-C3-7环烷基；R3是基团：（公式II），R4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，并且可以选择性地被最多两个独立选择自C1-6烷基的基团取代；n选自0、1和2；p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。
• OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1436269A1

  公开（公告）日：2004-07-14