4,6-dichloro-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine | 756851-58-8

• 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: 4,6-dichloro-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
• CAS: 756851-58-8
• 化学式: C₁₁H₉Cl₂FN₄
• mdl: MFCD18025201
• 分子量: 287.124
• InChiKey: JUQACSVPLVMQAU-UHFFFAOYSA-N

物化性质

• 沸点：
  458.1±47.0 °C(Predicted)
• 密度：
  1.475±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-dichloro-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 6-chloro-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Aminotriazine 5-HT7 antagonists

  摘要：

  The present studies have identified a series of aminotriazines as novel 5-HT7 receptor antagonists. Compounds 10 and 17 have high affinity for the 5-HT7 receptor and do not bind to either the 5-HT2C or 5-HT6 receptors. These compounds produce no agonist effects by themselves, and shift the dose-response curve of 5-CT to the right in the manner of an antagonist. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.008
• 作为产物：
  描述：

  三聚氯氰 、 1-(4-氟苯基)乙胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4,6-dichloro-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Aminotriazine 5-HT7 antagonists

  摘要：

  The present studies have identified a series of aminotriazines as novel 5-HT7 receptor antagonists. Compounds 10 and 17 have high affinity for the 5-HT7 receptor and do not bind to either the 5-HT2C or 5-HT6 receptors. These compounds produce no agonist effects by themselves, and shift the dose-response curve of 5-CT to the right in the manner of an antagonist. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.008

文献信息

• Aminotriazine 5-HT7 antagonists
  作者：Ronald J Mattson、Derek J Denhart、John D Catt、Michael F Dee、Jeffrey A Deskus、Jonathan L Ditta、James Epperson、H Dalton King、Aiming Gao、Michael A Poss、Ashok Purandare、David Tortolani、Yufen Zhao、Hua Yang、Suresh Yeola、Jane Palmer、John Torrente、Arlene Stark、Graham Johnson

  DOI：10.1016/j.bmcl.2004.06.008

  日期：2004.8

  The present studies have identified a series of aminotriazines as novel 5-HT7 receptor antagonists. Compounds 10 and 17 have high affinity for the 5-HT7 receptor and do not bind to either the 5-HT2C or 5-HT6 receptors. These compounds produce no agonist effects by themselves, and shift the dose-response curve of 5-CT to the right in the manner of an antagonist. (C) 2004 Elsevier Ltd. All rights reserved.