N-benzyl-6-chloro-N'-prop-2-ynyl-[1,3,5]triazine-2,4-diamine | 1447919-08-5

• 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: N-benzyl-6-chloro-N'-prop-2-ynyl-[1,3,5]triazine-2,4-diamine
• 英文别名: N-Benzyl-6-chloro-N'-prop-2-ynyl-[1,3,5]triazine-2,4-diamine；2-N-benzyl-6-chloro-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
• CAS: 1447919-08-5
• 化学式: C₁₃H₁₂ClN₅
• 分子量: 273.725
• InChiKey: VKPCHKUJSKEFFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-benzyl-6-chloro-N'-prop-2-ynyl-[1,3,5]triazine-2,4-diamine 、 二甲羟胺盐酸盐 、 O,N-dimethyl-N-[4-(n-propylamino)-6-(prop-2-ynylamino-[1,3,5]triazin-2-yl)]-hydroxylamine 以to yield O,N-dimethyl-N-(4-benzylamino-6-prop-2-ynylamino-[1,3,5]triazin-2-yl)-hydroxylamine (81) in 98% yield的产率得到O,N-dimethyl-N-(4-benzylamino-6-prop-2-ynylamino-[1,3,5]triazin-2-yl)hydroxylamine
  参考文献：
  名称：

  NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME

  摘要：

  本发明包括用于预防和/或治疗呼吸控制疾病或疾病的组合物，适用于需要此类治疗的受试者。本发明还包括一种预防和/或治疗受试者呼吸系统疾病或疾病的方法，包括向受试者施用本发明的治疗有效量的组合物。本发明还包括一种预防不稳定或稳定受试者呼吸节律的方法，包括向受试者施用本发明的治疗有效量的组合物。

  公开号：

  US20150291597A1
• 作为产物：
  描述：

  4,6-dichloro-N-(prop-2-yn-1-yl)-1,3,5-triazin-2-amine 、 苄胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 N-benzyl-6-chloro-N'-prop-2-ynyl-[1,3,5]triazine-2,4-diamine
  参考文献：
  名称：

  Dendrimers Terminated with Dichlorotriazine Groups Provide a Route to Compositional Diversity

  摘要：

  Triazine dendrimers terminated with either four or eight dichlorotriazines can be prepared in high yields by reacting an amine-terminated dendrimer with cyanuric chloride. These materials exist as white powders and are stable to storage at room temperature. Sequential nucleophilic aromatic substitution with two different amine nucleophiles yields compounds that display the desired compositional diversity. Reaction conditions for the substitution were developed using a model dichlorotriazine with amine nucleophiles at -20,0, and 25 degrees C. Selective substitution is favored at lower temperatures and with more nucleophilic amine groups.

  DOI：

  10.1021/ol400811h

文献信息

• [EN] NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME<br/>[FR] NOUVEAUX COMPOSÉS DE MODULATION DE RÉGULATION DE LA RESPIRATION ORALEMENT BIODISPONIBLES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GALLEON PHARMACEUTICALS INC

  公开号：WO2014078575A2

  公开（公告）日：2014-05-22

  The present invention includes compositions that are useful in the prevention and/or treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of preventing and/or treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a composition of the invention. The present invention further includes a method of preventing destabilization or stabilizing breathing rhythm in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a composition of the invention.
• Dendrimers Terminated with Dichlorotriazine Groups Provide a Route to Compositional Diversity
  作者：Subrata Patra、Brittany Kozura、Adela Y.-T. Huang、Alan E. Enciso、Xiankai Sun、Jer-Tsong Hsieh、Chai-Lin Kao、Hui-Ting Chen、Eric E. Simanek

  DOI：10.1021/ol400811h

  日期：2013.8.2

  Triazine dendrimers terminated with either four or eight dichlorotriazines can be prepared in high yields by reacting an amine-terminated dendrimer with cyanuric chloride. These materials exist as white powders and are stable to storage at room temperature. Sequential nucleophilic aromatic substitution with two different amine nucleophiles yields compounds that display the desired compositional diversity. Reaction conditions for the substitution were developed using a model dichlorotriazine with amine nucleophiles at -20,0, and 25 degrees C. Selective substitution is favored at lower temperatures and with more nucleophilic amine groups.
• NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME
  申请人：Galleon Pharmaceuticals, Inc.

  公开号：US20150291597A1

  公开（公告）日：2015-10-15

  The present invention includes compositions that are useful in the prevention and/or treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of preventing and/or treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a composition of the invention. The present invention further includes a method of preventing destabilization or stabilizing breathing rhythm in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a composition of the invention.

  本发明包括用于预防和/或治疗呼吸控制疾病或疾病的组合物，适用于需要此类治疗的受试者。本发明还包括一种预防和/或治疗受试者呼吸系统疾病或疾病的方法，包括向受试者施用本发明的治疗有效量的组合物。本发明还包括一种预防不稳定或稳定受试者呼吸节律的方法，包括向受试者施用本发明的治疗有效量的组合物。