6-chloro-N⁴-propyl-1,3,5-triazine-2,4-diamine | 37019-16-2

• 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-N⁴-propyl-1,3,5-triazine-2,4-diamine
• 英文别名: N2-propyl-2,4-diamino-6-chloro-[1,3,5]-triazine；6-chloro-N-propyl-[1,3,5]triazine-2,4-diamine；6-chloro-N²-propyl-[1,3,5]triazine-2,4-diyldiamine；6-Chlor-N²-propyl-[1,3,5]triazin-2,4-diyldiamin；6-amino-2-chloro-4-(n-propylamino)-[1,3,5]triazine；1,3,5-Triazine-2,4-diamine, 6-chloro-N-propyl-；6-chloro-2-N-propyl-1,3,5-triazine-2,4-diamine
• CAS: 37019-16-2
• 化学式: C₆H₁₀ClN₅
• 分子量: 187.632
• InChiKey: NNHOMQSKHVOGSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-chloro-N⁴-propyl-1,3,5-triazine-2,4-diamine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 32.17h， 生成 N-(4-(methoxy(methyl)amino)-6-(propylamino)-1,3,5-triazin-2-yI)propionamide
  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：

  阿特拉津 生成 6-chloro-N⁴-propyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  CAPRIEL, P.;HAISCH, A.;KHAN, S. U., J. AGR. AND FOOD CHEM., 1985, 33, N 4, 567-569

  摘要：

  DOI：

文献信息

• Novel functionalized melamine-based nitroheterocycles: synthesis and activity against trypanosomatid parasites
  作者：Alessandro Baliani、Valerie Peal、Ludovic Gros、Reto Brun、Marcel Kaiser、Michael P. Barrett、Ian H. Gilbert

  DOI：10.1039/b813394h

  日期：——

  Human African trypanosomiasis (HAT), caused by the protozoan parasite Trypanosoma brucei spp., is a major health problem in sub-Saharan Africa. New drugs are urgently required for the disease. Selective uptake of toxic compounds into trypanosomes has been achieved by exploiting plasma membrane transporters. For example, the P2 aminopurine transporter, along with other transporters, selectively concentrates melamine and benzamidine moieties into trypanosomes. We have previously reported the use of the melamine motif to selectively target nitrofuran to the trypanosome. In this paper we report the further investigation of the structure activity relationships and the effect of the introduction of different functionalized substituents onto the melamine unit. Most of the compounds tested in vitro for their trypanocidal activity showed activities in the submicromolar range against T. b. rhodesiense.

  人类非洲锥虫病（HAT），由原生动物寄生虫布氏锥虫引起，是撒哈拉以南非洲地区的一个主要健康问题。该疾病急需新药。通过利用细胞膜转运蛋白，已经实现了将毒性化合物选择性摄取进入锥虫体内。例如，P2氨基嘌呤转运蛋白以及其他转运蛋白，能够将蜜胺和苄胺基团选择性聚集到锥虫体内。我们之前报道了利用蜜胺基序选择性靶向硝呋喃至锥虫的方法。在本篇论文中，我们进一步研究了结构活性关系，并探究了将不同功能化取代基引入蜜胺单元的影响。大部分在体外测试的化合物对罗德西亚布氏锥虫显示出亚微摩尔级别的杀锥虫活性。
• Microwave assisted synthesis, docking and antimalarial evaluation of hybrid PABA‐substituted 1,3,5‐triazine derivatives
  作者：Nayana Adhikari、Ankita Kashyap、Anshul Shakya、Surajit Kumar Ghosh、Dibya Ranjan Bhattacharyya、Hans Raj Bhat、Udaya Pratap Singh

  DOI：10.1002/jhet.3955

  日期：2020.6

  A series of novel PABA‐substituted 1,3,5‐triazine derivatives were developed via microwave assisted synthesis and subsequently tested for antimalarial activity against chloroquine sensitive 3D7 strain of Plasmodium falciparum using chloroquine as standard. Antimalarial screening result showed that synthesized compounds exhibited IC50 in the range of 4.46 to 79.72 μg mL−1. Among the tested compounds

  通过微波辅助合成开发了一系列新颖的PABA取代的1,3,5-三嗪衍生物，随后使用氯喹作为标准品，测试了其对恶性疟原虫对氯喹敏感的3D7菌株的抗疟活性。抗疟疾筛查结果表明，合成化合物的IC 50为4.46至79.72μgmL -1。在测试的化合物中，4c和4f表现出显着的抗疟活性，且结合能（BE）低-172.32和160.41 kcal mol -1通过与1,3,5-三嗪连接的苯基的COOH参与与Arg122相互作用。总之，这些核心支架可用于未来的抗疟药物开发。
• 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。