4-amino-6-(pyridin-4-yl)-1,3,5-triazin-2-ol | 61382-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-amino-6-(pyridin-4-yl)-1,3,5-triazin-2-ol
• 英文别名: 4-Amino-6-(pyridin-4-yl)-1,3,5-triazin-2(5H)-one；4-amino-6-pyridin-4-yl-1H-1,3,5-triazin-2-one
• CAS: 61382-85-2
• 化学式: C₈H₇N₅O
• 分子量: 189.176
• InChiKey: YEVHZHQVYMFTML-UHFFFAOYSA-N

物化性质

• 沸点：
  372.1±34.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-amino-6-(pyridin-4-yl)-1,3,5-triazin-2-ol 在 三甲基溴硅烷 、 caesium carbonate 作用下， 以 二甲基亚砜 、 乙腈 为溶剂， 反应 4.0h， 生成 (2-(6-amino-2-oxo-4-(pyridin-4-yl)-1,3,5-triazin-1(2H)-yl)ethoxy)methylphosphonic acid ammonium salt
  参考文献：
  名称：

  Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine

  摘要：

  A series of hydrolytically stable O-2- and N-3-(2-phosphonomethoxy)ethyl (PME) derivatives of 6-phenyl, pyridin-2, -3 and -4-yl-5-azacytosines was prepared by their alkylation with diisopropyl (2-chloroethoxy)methylphosphonate followed by the deprotection. No antitumor or antiviral activity was found except for 6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine (13d) which exhibited slight activity against feline herpesvirus in CrFK cell cultures with IC50 = 6.7 mu g/mL.

  DOI：

  10.3987/com-11-12137
• 作为产物：
  描述：

  4-氰基吡啶 在 溶剂黄146 、 potassium hydroxide 、 亚硝酸异戊酯 作用下， 以 甲乙醚 、 水 为溶剂， 反应 0.33h， 生成 4-amino-6-(pyridin-4-yl)-1,3,5-triazin-2-ol
  参考文献：
  名称：

  Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine

  摘要：

  A series of hydrolytically stable O-2- and N-3-(2-phosphonomethoxy)ethyl (PME) derivatives of 6-phenyl, pyridin-2, -3 and -4-yl-5-azacytosines was prepared by their alkylation with diisopropyl (2-chloroethoxy)methylphosphonate followed by the deprotection. No antitumor or antiviral activity was found except for 6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine (13d) which exhibited slight activity against feline herpesvirus in CrFK cell cultures with IC50 = 6.7 mu g/mL.

  DOI：

  10.3987/com-11-12137

文献信息

• Rho-Kinase Inhibitors
  申请人：Nagarathnam Dhanapalan

  公开号：US20120053179A1

  公开（公告）日：2012-03-01

  Disclosed are compounds and derivatives thereof, their synthesis, and their use as Rho-kinase inhibitors. These compounds are useful for inhibiting tumor growth, treating erectile dysfunction, and treating other indications mediated by Rho-kinase, e.g., coronary heart disease.

  本发明揭示了化合物及其衍生物，它们的合成以及它们作为Rho-kinase抑制剂的用途。这些化合物对于抑制肿瘤生长、治疗勃起功能障碍以及治疗其他由Rho-kinase介导的适应症，例如冠心病，是有用的。
• Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine
  作者：Miroslav Otmar、Martin Dracinsky、Marcela Krecmerova、Jan Balzarini、Graciela Andrei、Robert Snoeck

  DOI：10.3987/com-11-12137

  日期：——

  A series of hydrolytically stable O-2- and N-3-(2-phosphonomethoxy)ethyl (PME) derivatives of 6-phenyl, pyridin-2, -3 and -4-yl-5-azacytosines was prepared by their alkylation with diisopropyl (2-chloroethoxy)methylphosphonate followed by the deprotection. No antitumor or antiviral activity was found except for 6-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine (13d) which exhibited slight activity against feline herpesvirus in CrFK cell cultures with IC50 = 6.7 mu g/mL.