N-[3-Benzoyl-6-(2,2-dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide | 853941-46-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[3-Benzoyl-6-(2,2-dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide
• 英文别名: N-[5-benzoyl-6-(2,2-dimethylpropanoylamino)pyridin-2-yl]-2,2-dimethylpropanamide
• CAS: 853941-46-5
• 化学式: C₂₂H₂₇N₃O₃
• 分子量: 381.475
• InChiKey: JLKGNCNSXOVYCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  88.16
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[3-Benzoyl-6-(2,2-dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide 在 氢氧化钾 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 (2,6-diamino-3-pyridinyl)phenylmethanone
  参考文献：
  名称：

  3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation

  摘要：

  A novel series of 2,6-diamino-3-acylpyridines were designed and synthesized as cyclin-dependent kinase (CDK) inhibitors. The representative compounds 2r and 11 showed potent CDK1 and CDK2 inhibitory activities and inhibited cellular proliferation in HeLa, HCT116, and A375 tumor cells. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.024
• 作为产物：
  描述：

  苯甲酰氯 、 N-[6-(2,2-二甲基丙酰基氨基)吡啶-2-基]-2,2-二甲基丙酰胺 在 正丁基锂 、 四甲基乙二胺 作用下， 以 various solvent(s) 为溶剂， 反应 19.0h， 生成 N-[3-Benzoyl-6-(2,2-dimethyl-propionylamino)-pyridin-2-yl]-2,2-dimethyl-propionamide
  参考文献：
  名称：

  3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation

  摘要：

  A novel series of 2,6-diamino-3-acylpyridines were designed and synthesized as cyclin-dependent kinase (CDK) inhibitors. The representative compounds 2r and 11 showed potent CDK1 and CDK2 inhibitory activities and inhibited cellular proliferation in HeLa, HCT116, and A375 tumor cells. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.024