2-chloro-N-(3-fluorophenyl)-5-nitropyrimidin-4-amine | 1144044-87-0

• 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: 2-chloro-N-(3-fluorophenyl)-5-nitropyrimidin-4-amine
• CAS: 1144044-87-0
• 化学式: C₁₀H₆ClFN₄O₂
• 分子量: 268.635
• InChiKey: GPVFSMONKMDUFA-UHFFFAOYSA-N

物化性质

• 沸点：
  444.0±40.0 °C(Predicted)
• 密度：
  1.580±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(3-fluorophenyl)-5-nitropyrimidin-4-amine 、 sodium thiomethoxide 以 水 为溶剂， 反应 1.5h， 生成 N-(3-fluorophenyl)-2-methylsulfanyl-5-nitropyrimidin-4-amine
  参考文献：
  名称：

  WO2006/75023

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氟苯胺 、 2,4-二氯-5 硝基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 2.0h， 生成 2-chloro-N-(3-fluorophenyl)-5-nitropyrimidin-4-amine
  参考文献：
  名称：

  WO2006/75023

  摘要：

  公开号：

文献信息

• Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists
  作者：Yuefei Shao、Andrew G. Cole、Marc-Raleigh Brescia、Lan-Ying Qin、Jingqi Duo、Tara M. Stauffer、Laura L. Rokosz、Brian F. McGuinness、Ian Henderson

  DOI：10.1016/j.bmcl.2009.01.042

  日期：2009.3

  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.
• TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS
  申请人：Love Christopher John

  公开号：US20100160349A1

  公开（公告）日：2010-06-24

  This invention concerns a compound of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A represents phenyl, pyridyl, pyrimidinyl, pyridazinyl or pyrazinyl; R 1 represents hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; C 1-6 alkyl; C 1-6 alkyloxycarbonyl; C 1-6 alkyl substituted with formyl, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl or C 1-6 alkylcarbonyloxy; X represents a direct bond; —(CH 2 ) n3 — or —(CH 2 ) n4 —X 1a —X 1b —; R 2 represents an optionally substituted cyclic system; provided that N,3-diphenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine is not included; their use, pharmaceutical compositions comprising them and processes for their preparation.
• WO2006/75023
  申请人：——

  公开号：——

  公开（公告）日：——