[2-amino-6-[(2-nitrophenyl)amino]-3-pyridinyl](2,6-difluorophenyl)methanone | 852997-87-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2-amino-6-[(2-nitrophenyl)amino]-3-pyridinyl](2,6-difluorophenyl)methanone
• 英文别名: 3-Acyl-2,6-diaminopyridine deriv. 2e；[2-amino-6-(2-nitroanilino)pyridin-3-yl]-(2,6-difluorophenyl)methanone
• CAS: 852997-87-6
• 化学式: C₁₈H₁₂F₂N₄O₃
• 分子量: 370.315
• InChiKey: RKSUYNPOOOLLOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [2-amino-6-[(2-nitrophenyl)amino]-3-pyridinyl](2,6-difluorophenyl)methanone 在 氢气 作用下， 以90%的产率得到[2-amino-6-[(2-aminophenyl)amino]-3-pyridinyl](2,6-difluorophenyl)methanone
  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：

  2,6-二氟苯甲酰氯 在 氢氧化钾 、 正丁基锂 、 tris(dibenzylideneacetone)dipalladium (0) 、 四甲基乙二胺 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 25.0h， 生成 [2-amino-6-[(2-nitrophenyl)amino]-3-pyridinyl](2,6-difluorophenyl)methanone
  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

文献信息

• 3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation
  作者：Ronghui Lin、Yanhua Lu、Steven K. Wetter、Peter J. Connolly、Ignatius J. Turchi、William V. Murray、Stuart L. Emanuel、Robert H. Gruninger、Angel R. Fuentes-Pesquera、Mary Adams、Niranjan Pandey、Sandra Moreno-Mazza、Steven A. Middleton、Linda K. Jolliffe

  DOI：10.1016/j.bmcl.2005.03.024

  日期：2005.5

  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.