4-(6-(4-Chlorophenyl)quinolin-4-ylamino)benzonitrile | 1245921-77-0

• 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: 4-(6-(4-Chlorophenyl)quinolin-4-ylamino)benzonitrile
• 英文别名: 4-[[6-(4-chlorophenyl)quinolin-4-yl]amino]benzonitrile
• CAS: 1245921-77-0
• 化学式: C₂₂H₁₄ClN₃
• 分子量: 355.826
• InChiKey: VBCUFNWLUJXTRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氨基苯腈 、 4-chloro-6-(4-chlorophenyl)quinoline 以 N-甲基吡咯烷酮 为溶剂， 生成 4-(6-(4-Chlorophenyl)quinolin-4-ylamino)benzonitrile
  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.