6-chloro-N²,N⁴-diisobutyl-1,3,5-triazine-2,4-diamine | 39605-41-9

• 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-N²,N⁴-diisobutyl-1,3,5-triazine-2,4-diamine
• 英文别名: 6-chloro-N,N'-diisobutyl-[1,3,5]triazine-2,4-diamine；2-chloro-4,6-bis-(2-methylpropylamino)-[1,3,5]triazine；N,N'-di-iso-butyl-2,4-diamino-6-chloro-1,3,5-triazin；2-Chlor-4,6-bis-(2-methylpropylamino)-s-triazin；N-[4-Chloro-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl]-N-(2-methylpropyl)amine；6-chloro-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
• CAS: 39605-41-9
• 化学式: C₁₁H₂₀ClN₅
• 分子量: 257.766
• InChiKey: ZOIFLMYJNFDCLF-UHFFFAOYSA-N

物化性质

• 熔点：
  222 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  397.9±25.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  6-chloro-N²,N⁴-diisobutyl-1,3,5-triazine-2,4-diamine 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 16.0h， 生成 N-(4,6-bis-(2-methylpropylamino)-[1,3,5]triazin-2-yl)-N,O-dimethyl-hydroxylamine hydrochloride
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES
  [FR] NOUVEAUX COMPOSÉS COMME STIMULANTS RESPIRATOIRES POUR LE TRAITEMENT DE TROUBLES OU DE MALADIES DE CONTRÔLE DE LA RESPIRATION

  摘要：

  本发明涵盖了用于治疗患有呼吸控制疾病或紊乱的受试者的组合物。本发明还包括一种治疗患有呼吸系统疾病或紊乱的受试者的方法，包括向受试者施用本发明的药物配方的治疗有效量。本发明还包括一种预防或稳定患有呼吸节律不稳定的受试者的方法，包括向受试者施用本发明的药物配方的治疗有效量。

  公开号：

  WO2012074999A1
• 作为产物：
  描述：

  三聚氯氰 、 异丁胺 在 sodium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 反应 1.5h， 以87%的产率得到6-chloro-N²,N⁴-diisobutyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES
  [FR] NOUVEAUX COMPOSÉS COMME STIMULANTS RESPIRATOIRES POUR LE TRAITEMENT DE TROUBLES OU DE MALADIES DE CONTRÔLE DE LA RESPIRATION

  摘要：

  本发明涵盖了用于治疗患有呼吸控制疾病或紊乱的受试者的组合物。本发明还包括一种治疗患有呼吸系统疾病或紊乱的受试者的方法，包括向受试者施用本发明的药物配方的治疗有效量。本发明还包括一种预防或稳定患有呼吸节律不稳定的受试者的方法，包括向受试者施用本发明的药物配方的治疗有效量。

  公开号：

  WO2012074999A1

文献信息

• Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases
  申请人：Mannion James C.

  公开号：US20120295911A1

  公开（公告）日：2012-11-22

  The present invention includes compositions that are useful in the treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a pharmaceutical formulation 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 pharmaceutical formulation of the invention.

  本发明包括用于治疗需要呼吸控制疾病或障碍的受体的组合物。本发明还包括一种治疗需要呼吸系统疾病或障碍的受体的方法，包括向受体施用本发明的药物制剂的治疗有效量。本发明还包括一种预防或稳定需要呼吸节律的受体的方法，包括向受体施用本发明的药物制剂的治疗有效量。
• Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases
  申请人：Dax Scott L.

  公开号：US20120142647A1

  公开（公告）日：2012-06-07

  The present invention includes compositions that are useful in the treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a pharmaceutical formulation 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 pharmaceutical formulation of the invention.

  本发明包括用于治疗呼吸控制疾病或障碍的组合物，适用于需要该治疗的受试者。本发明还包括一种治疗呼吸系统疾病或障碍的方法，包括向受试者投予本发明的药物制剂的治疗有效量。本发明还包括一种预防或稳定受试者呼吸节律不稳定的方法，包括向受试者投予本发明的药物制剂的治疗有效量。
• NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES
  申请人：GALLEON PHARMACEUTICALS, INC.

  公开号：US20140371224A1

  公开（公告）日：2014-12-18

  The present invention includes compounds, and compositions comprising the same, that are useful in the treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound 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 compound of the invention.

  本发明包括化合物及其组合物，适用于治疗需要治疗呼吸控制疾病或障碍的患者。本发明还包括一种治疗需要治疗呼吸系统疾病或障碍的患者的方法，包括向患者施用本发明中化合物的治疗有效量。本发明还包括一种预防或稳定需要稳定呼吸节律的患者的方法，包括向患者施用本发明中化合物的治疗有效量。
• NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES
  申请人：GALLEON PHARMACEUTICALS, INC.

  公开号：US20160256463A1

  公开（公告）日：2016-09-08

  The present invention includes a composition comprising a compound, such as a 2,4,6-triamino-1,3,5-triazine, 2,4,6-triaminopyrimidine, 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine or 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine, that is useful in the treatment of breathing control diseases or disorders in a subject in need thereof. The present invention also includes a method of treating a respiratory disease or disorder in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a pharmaceutical composition of the invention. The present invention further includes a method of preventing destabilizing or stabilizing breathing rhythm in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a pharmaceutical composition of the invention.

  本发明涉及一种组合物，包括化合物，如2,4,6-三氨基-1,3,5-三嗪、2,4,6-三氨基嘧啶、2,4-二氨基-6,7-二氢-5H-吡咯[2,3-d]嘧啶或2,4-二氨基-7H-吡咯[2,3-d]嘧啶，其在治疗需要该类治疗的呼吸控制疾病或障碍的患者中有用。本发明还包括一种治疗需要该类治疗的呼吸系统疾病或障碍的患者的方法，包括向该患者施用本发明的药物组合物的治疗有效量。本发明还包括一种预防需要该类治疗的患者呼吸节律不稳定或稳定的方法，包括向该患者施用本发明的药物组合物的治疗有效量。
• Antiviral Activities of Some New 2,4,6-Trisubstituted 1,3,5-Triazines Having Alkoxy and/or Alkylamino Groups
  作者：Kunihiro Sumoto、Nobuko Mibu、Kazumi Yokomizo、Ai Yuzuriha、Marie Otsubo、Yuna Kawaguchi、Marina Sano、Izumi Sakai、Keita Nakayama、Jian-Rong Zhou

  DOI：10.3987/com-17-13735

  日期：——

  We report the preparation of C-3- and C-S-symmetrical 2,4,6-trisubstituted 1,3,5-triazine derivatives having alkoxy and/or alkylamino groups and results of biological evaluation of their anti-herpes simplex virus type 1 (anti-HSV-1) activity and cytotoxic activity against Vero cells. New targeted symmetrical molecules were obtained by using a method starting with 2,4,6-trichloro-1,3,5-triazine (1). Among the synthesized compounds, C-S-symmetrical tri-aliphatic alkylamino-substituted compound 6s showed high anti-HSV-1 activity (EC50 = 5.4 mu M) and low cytotoxicity (CC50 > 200 mu M). The results of an SAR study suggested that the presence of two hydrogen bond donor protons of sec-amine functionality in the molecule is an important structural factor for expression of potential anti-HSV-1 activities.