6-硝基喹啉-5-甲腈 | 1379229-64-7

• 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
• 中文名称: 6-硝基喹啉-5-甲腈
• 英文名称: 6-Nitroquinoline-5-carbonitrile
• CAS: 1379229-64-7
• 化学式: C₁₀H₅N₃O₂
• 分子量: 199.169
• InChiKey: ATYKUDBWSFQJLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.3±30.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-硝基喹啉-5-甲腈 在 盐酸 、 水 作用下， 生成 6-氨基-喹啉-5-甲腈
  参考文献：
  名称：

  Benzothiophene inhibitors of MK2. Part 2: Improvements in kinase selectivity and cell potency

  摘要：

  Optimization of kinase selectivity for a set of benzothiophene MK2 inhibitors provided analogs with potencies of less than 500 nM in a cell based assay. The selectivity of the inhibitors can be rationalized by examination of X-ray crystal structures of inhibitors bound to MK2.

  DOI：

  10.1016/j.bmcl.2009.02.017
• 作为产物：
  描述：

  6-硝基喹啉 、 氰乙酸乙酯 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-硝基喹啉-5-甲腈
  参考文献：
  名称：

  Benzothiophene inhibitors of MK2. Part 2: Improvements in kinase selectivity and cell potency

  摘要：

  Optimization of kinase selectivity for a set of benzothiophene MK2 inhibitors provided analogs with potencies of less than 500 nM in a cell based assay. The selectivity of the inhibitors can be rationalized by examination of X-ray crystal structures of inhibitors bound to MK2.

  DOI：

  10.1016/j.bmcl.2009.02.017

文献信息

• MK2 inhibitors, synthesis thereof, and intermediates thereto
  申请人：Celgene CAR LLC

  公开号：US10894796B2

  公开（公告）日：2021-01-19

  The present invention provides methods of preparing a MK2 inhibitor, and intermediates related thereto.

  本发明提供了制备 MK2 抑制剂及其相关中间体的方法。
• MK2 INHIBITORS, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO
  申请人：Celgene CAR LLC

  公开号：US20210139501A1

  公开（公告）日：2021-05-13

  The present invention provides methods of preparing a MK2 inhibitor, and intermediates related thereto.
• Benzothiophene inhibitors of MK2. Part 2: Improvements in kinase selectivity and cell potency
  作者：David R. Anderson、Marvin J. Meyers、Ravi G. Kurumbail、Nicole Caspers、Gennadiy I. Poda、Scott A. Long、Betsy S. Pierce、Matthew W. Mahoney、Robert J. Mourey、Mihir D. Parikh

  DOI：10.1016/j.bmcl.2009.02.017

  日期：2009.8

  Optimization of kinase selectivity for a set of benzothiophene MK2 inhibitors provided analogs with potencies of less than 500 nM in a cell based assay. The selectivity of the inhibitors can be rationalized by examination of X-ray crystal structures of inhibitors bound to MK2.