N-(4-Methyl-3-nitro-phenyl)-guanidine | 754214-00-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-Methyl-3-nitro-phenyl)-guanidine
• 英文别名: N''-(4-Methyl-3-nitrophenyl)guanidine；2-(4-methyl-3-nitrophenyl)guanidine
• CAS: 754214-00-1
• 化学式: C₈H₁₀N₄O₂
• 分子量: 194.193
• InChiKey: ZDGOBULKEQZSPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-Methyl-3-nitro-phenyl)-guanidine 、 (E)-4-(3-(dimethylamino)acryloyl)-3,5-dimethyl-1H-pyrrole-2-carbonitrile 在 potassium carbonate 作用下， 以 乙二醇甲醚 为溶剂， 生成 3,5-Dimethyl-4-[2-(4-methyl-3-nitro-phenylamino)-pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile
  参考文献：
  名称：

  Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors

  摘要：

  A series of 2-anilino-4-(1H-pyrrol-3-yl)pyrimidines were prepared and evaluated for their ability to inhibit cyclin-dependent kinases (CDKs). A number of analogues were found to be potent CDK2 and CDK4 inhibitors and to exhibit anti-proliferative activity against human tumour cell lines. Structure-activity relationships and biochemical characterization are presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.012
• 作为产物：
  描述：

  氰胺 、 4-甲基-3-硝基苯胺 生成 N-(4-Methyl-3-nitro-phenyl)-guanidine
  参考文献：
  名称：

  Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors

  摘要：

  A series of 2-anilino-4-(1H-pyrrol-3-yl)pyrimidines were prepared and evaluated for their ability to inhibit cyclin-dependent kinases (CDKs). A number of analogues were found to be potent CDK2 and CDK4 inhibitors and to exhibit anti-proliferative activity against human tumour cell lines. Structure-activity relationships and biochemical characterization are presented. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.012

文献信息

• Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors
  作者：Shudong Wang、Gavin Wood、Christopher Meades、Gary Griffiths、Carol Midgley、Iain McNae、Campbell McInnes、Sian Anderson、Wayne Jackson、Mokdad Mezna、Rhoda Yuill、Malcolm Walkinshaw、Peter M Fischer

  DOI：10.1016/j.bmcl.2004.06.012

  日期：2004.8

  A series of 2-anilino-4-(1H-pyrrol-3-yl)pyrimidines were prepared and evaluated for their ability to inhibit cyclin-dependent kinases (CDKs). A number of analogues were found to be potent CDK2 and CDK4 inhibitors and to exhibit anti-proliferative activity against human tumour cell lines. Structure-activity relationships and biochemical characterization are presented. (C) 2004 Elsevier Ltd. All rights reserved.