6-(4-bromophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine | 1245921-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(4-bromophenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine
• 英文别名: 6-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
• CAS: 1245921-86-1
• 化学式: C₂₆H₂₅BrN₄
• 分子量: 473.415
• InChiKey: KLDDIZKJFLATAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  31.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-bromo-N-(4-(4-methylpiperazin-1-yl)phenyl)quinolin-4-amine 、 4-溴苯硼酸 在 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 6-(4-bromophenyl)-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

• 4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2)
  作者：Henric Olsson、Peter Sjö、Oguz Ersoy、Anna Kristoffersson、Joakim Larsson、Bo Nordén

  DOI：10.1016/j.bmcl.2010.06.107

  日期：2010.8

  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.