N2-cyclopropyl-5-nitro-N4-phenylpyrimidine-2,4-diamine | 1144044-97-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N2-cyclopropyl-5-nitro-N4-phenylpyrimidine-2,4-diamine
• CAS: 1144044-97-2
• 化学式: C₁₃H₁₃N₅O₂
• 分子量: 271.279
• InChiKey: TWEKMFRMMVWLNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  92.98
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N2-cyclopropyl-5-nitro-N4-phenylpyrimidine-2,4-diamine 在 sodium dithionite 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists

  摘要：

  A series of trisubstituted purinones was synthesized and evaluated as A(2A) receptor antagonists. The A2A structure-activity relationships at the three substituted positions were studied and selectivity against the A(1) receptor was investigated. One antagonist 12o exhibits a K-i of 9 nM in an A(2A) binding assay, a K-b of 18 nM in an A2A cAMP functional assay, and is 220-fold selective over the A1 receptor. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.042
• 作为产物：
  描述：

  环丙胺 、 2-chloro-5-nitro-N-phenylpyrimidin-4-amine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N2-cyclopropyl-5-nitro-N4-phenylpyrimidine-2,4-diamine
  参考文献：
  名称：

  Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists

  摘要：

  A series of trisubstituted purinones was synthesized and evaluated as A(2A) receptor antagonists. The A2A structure-activity relationships at the three substituted positions were studied and selectivity against the A(1) receptor was investigated. One antagonist 12o exhibits a K-i of 9 nM in an A(2A) binding assay, a K-b of 18 nM in an A2A cAMP functional assay, and is 220-fold selective over the A1 receptor. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.042

文献信息

• Synthesis of Novel N,3-Substituted 3H-[1,2,3]Triazolo[4,5-d]pyrimidin-5-amines
  作者：Detlef Geffken、Finn Hansen

  DOI：10.1055/s-0029-1218597

  日期：2010.2

  Novel N,3-substituted 3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amines were prepared by an expedient method starting from 2-chloro-5-nitropyrimidin-4-yl thiocyanate via N²,N4-substituted 5-nitropyrimidine-2,4-diamines.

  新型N,3取代的3H-[1,2,3]噁唑[4,5-d]嘧啶-5-胺是通过一种快捷的方法，从2-氯-5-硝基嘧啶-4-基硫氰酸酯出发，合成了N²,N4取代的5-硝基嘧啶-2,4-二胺。