N,N'-[1,3-phenylenebis(methylene)]dipyrimidin-2-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-[1,3-phenylenebis(methylene)]dipyrimidin-2-amine
• 英文别名: N-[[3-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
• 化学式: C₁₆H₁₆N₆
• 分子量: 292.343
• InChiKey: JZHHBXUHALZNJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 间二溴苄 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以57%的产率得到N,N'-[1,3-phenylenebis(methylene)]dipyrimidin-2-amine
  参考文献：
  名称：

  由 2-氨基嘧啶、2-氨基噻唑和 2-氨基噻唑啉与溴化苄和二溴代苯的反应合成（杂芳基）烷基胺

  摘要：

  摘要 描述了 2-氨基嘧啶、2-氨基噻唑、2-氨基噻唑啉及其 Cbz 保护衍生物的烷基化反应。与苄基溴反应生成带有 2-氨基嘧啶和 2-氨基噻唑的单烷基化产物，但 2-氨基噻唑啉生成二烷基化产物。由于与邻二溴化物形成分子内环化产物以及与间二溴化物和对二溴化物形成不溶产物的趋势，与二溴化苯的反应变得复杂。

  DOI：

  10.1080/00397910701771074

文献信息

• TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION
  申请人：Emory University

  公开号：EP2776387B1

  公开（公告）日：2017-02-01
• CXCR4 antagonists for the treatment of medical disorders
  申请人：Shim Hyunsuk

  公开号：US20070054930A1

  公开（公告）日：2007-03-08

  The invention provides compounds, pharmaceutical compositions and methods of use of certain compounds that are antagonists of the chemokine CXCR4 receptor for the treatment of proliferative conditions mediated by CXCR4 receptors. The compounds provided interfere with the binding of SDF1 to the receptor. These compounds are particularly useful for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis.
• CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS
  申请人：Shim Hyunsuk

  公开号：US20140039187A1

  公开（公告）日：2014-02-06

  The invention provides compounds, pharmaceutical compositions and methods of use of certain compounds that are antagonists of the chemokine CXCR4 receptor for the treatment of proliferative conditions mediated by CXCR4 receptors. The compounds provided interfere with the binding of SDF1 to the receptor. These compounds are particularly useful for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis.
• CXCR4 Antagonists for the Treatment of Medical Disorders
  申请人：Emory University

  公开号：US20160002174A1

  公开（公告）日：2016-01-07

  The invention provides compounds, pharmaceutical compositions and methods of use of certain compounds that are antagonists of the chemokine CXCR4 receptor for the treatment of proliferative conditions mediated by CXCR4 receptors. The compounds provided interfere with the binding of SDF1 to the receptor. These compounds are particularly useful for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis.
• Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction
  申请人：Natchus Michael G.

  公开号：US20160058761A1

  公开（公告）日：2016-03-03

  The disclosure provides methods of use of certain compounds that are useful for treating certain symptoms of endocrine disturbances, and in particular those associated with hot flashes.