6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine | 144653-40-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
• 英文别名: 6-bromo-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
• CAS: 144653-40-7
• 化学式: C₂₀H₂₁BrN₄
• 分子量: 397.318
• InChiKey: CGCYZGLZJSUFMP-UHFFFAOYSA-N

物化性质

• 沸点：
  539.7±50.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  31.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine 、 3-氨基苯硼酸 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 6-(3-aminophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
  参考文献：
  名称：

  4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2)

  摘要：

  A class of inhibitors of mitogen activated protein kinase-activated kinase 2 (MK2) was discovered via high-throughput screening. This compound class demonstrates activity against the enzyme with sub-mu M IC(50) values, and suppresses LPS-induced TNF alpha levels in THP-1 cells. MK2 inhibition kinetic measurements indicated mixed binding approaching non-ATP competitive inhibition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.107
• 作为产物：
  描述：

  6-溴-4-氯喹啉 、 4-(4-甲基哌嗪)苯胺 以 N-甲基吡咯烷酮 为溶剂， 生成 6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
  参考文献：
  名称：

  4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2)

  摘要：

  A class of inhibitors of mitogen activated protein kinase-activated kinase 2 (MK2) was discovered via high-throughput screening. This compound class demonstrates activity against the enzyme with sub-mu M IC(50) values, and suppresses LPS-induced TNF alpha levels in THP-1 cells. MK2 inhibition kinetic measurements indicated mixed binding approaching non-ATP competitive inhibition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.107

文献信息

• Method for predicting skin sensitizing activity of compounds
  申请人：Dickson, JR. John K.

  公开号：US20090069338A1

  公开（公告）日：2009-03-12

  Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, methods of using compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions comprising compounds exhibiting ATP-utilizing enzyme inhibitory activity, are disclosed.

  本发明揭示了基于喹啉和异喹啉的化合物，这些化合物表现出ATP利用酶抑制活性，以及使用表现出ATP利用酶抑制活性的化合物的方法和包含表现出ATP利用酶抑制活性的化合物的组合物。
• US7452887B2
  申请人：——

  公开号：US7452887B2

  公开（公告）日：2008-11-18