6-Chloro-N-[(S)-1-(4-fluoro-phenyl)-ethyl]-[1,3,5]triazine-2,4-diamine | 756851-71-5

• 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: 6-Chloro-N-[(S)-1-(4-fluoro-phenyl)-ethyl]-[1,3,5]triazine-2,4-diamine
• 英文别名: 4-Chloro-N2-[(1S)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,6-diamine；6-chloro-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
• CAS: 756851-71-5
• 化学式: C₁₁H₁₁ClFN₅
• 分子量: 267.693
• InChiKey: ITHKMQSKGBSZOB-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-氟苯氧基)乙胺 、 6-Chloro-N-[(S)-1-(4-fluoro-phenyl)-ethyl]-[1,3,5]triazine-2,4-diamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N2-[2-(4-Fluorophenoxy)ethyl]-N4-[(1S)-1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
  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：

  (S)-(-)-1-(4-氟苯基)乙胺 在 ammonium hydroxide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 6-Chloro-N-[(S)-1-(4-fluoro-phenyl)-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

文献信息

• 5-HT7 receptor antagonists
  申请人：——

  公开号：US20020032199A1

  公开（公告）日：2002-03-14

  Amino-pyrimidine and amino-triazine derivatives having 5-HT 7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, circadian rhythm disorders, ocular disorders and/or centrally and peripherally mediated hypertension are provided.

  提供具有5-HT7拮抗活性的氨基嘧啶和氨基三嗪衍生物，用于治疗睡眠障碍、抑郁症、精神分裂症、焦虑症、强迫症、昼夜节律紊乱、眼部疾病和/或中枢和外周介导的高血压。
• 5-HT 7 RECEPTOR ANTAGONISTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1280781B1

  公开（公告）日：2009-11-18
• EP1280781A4
  申请人：——

  公开号：EP1280781A4

  公开（公告）日：2003-08-06
• US6630469B2
  申请人：——

  公开号：US6630469B2

  公开（公告）日：2003-10-07
• [EN] 5-HT7 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR 5-HT7
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001085701A1

  公开（公告）日：2001-11-15

  Amino-pyrimidine and amino-triazine derivatives having 5-HT7 antagonist activity for the treatment of sleeping disorders, depression, schizophrenia, anxiety, obsessive compulsive disorders, circadian rhythm disorders, ocular disorders and/or centrally and peripherally mediated hypertension are provided.