7-bromo-2-methyl-N-phenylquinoline-4-carboxamide | 1595085-32-7

• 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: 7-bromo-2-methyl-N-phenylquinoline-4-carboxamide
• CAS: 1595085-32-7
• 化学式: C₁₇H₁₃BrN₂O
• 分子量: 341.207
• InChiKey: GAMCTCXLCRDXOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  41.99
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  7-bromo-2-methyl-N-phenylquinoline-4-carboxamide 、 methyl 2-(trans-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetate 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 水 、 potassium carbonate 、 lithium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 2-[4-[4-[2-Methyl-4-(phenylcarbamoyl)quinolin-7-yl]phenyl]cyclohexyl]acetic acid
  参考文献：
  名称：

  Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors

  摘要：

  Herein we report the design and synthesis of a series of novel bicyclic DGAT1 inhibitors with a carboxylic acid moiety. The optimization of the initial lead compound 7 based on in vitro and in vivo activity led to the discovery of potent indoline and quinoline classes of DGAT1 inhibitors. The structure-activity relationship studies of these novel series of bicyclic carboxylic acid derivatives as DGAT1 inhibitors are described. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.028
• 作为产物：
  描述：

  7-bromo-2-methyl-quinoline-4-carboxylic acid 、 苯胺 在 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-) 作用下， 生成 7-bromo-2-methyl-N-phenylquinoline-4-carboxamide
  参考文献：
  名称：

  Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors

  摘要：

  Herein we report the design and synthesis of a series of novel bicyclic DGAT1 inhibitors with a carboxylic acid moiety. The optimization of the initial lead compound 7 based on in vitro and in vivo activity led to the discovery of potent indoline and quinoline classes of DGAT1 inhibitors. The structure-activity relationship studies of these novel series of bicyclic carboxylic acid derivatives as DGAT1 inhibitors are described. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.028