N'-(4,6-Bis-trichloromethyl-[1,3,5]triazin-2-yl)-N,N-dimethyl-propane-1,3-diamine | 101862-53-7

• 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'-(4,6-Bis-trichloromethyl-[1,3,5]triazin-2-yl)-N,N-dimethyl-propane-1,3-diamine
• 英文别名: N-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
• CAS: 101862-53-7
• 化学式: C₁₀H₁₃Cl₆N₅
• 分子量: 415.965
• InChiKey: OQUMYZBQNXBSEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  120-121 °C
• 沸点：
  431.3±55.0 °C(Predicted)
• 密度：
  1.572±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四异硫氰酸化硅 、 N,N-二甲基-1,3-二氨基丙烷 以 乙酸乙酯 为溶剂， 以83%的产率得到N'-(4,6-Bis-trichloromethyl-[1,3,5]triazin-2-yl)-N,N-dimethyl-propane-1,3-diamine
  参考文献：
  名称：

  Antimalarial activity of 2-(substituted amino)-4,6-bis(trichloromethyl)-1,3,5-triazines and N-(chlorophenyl)-N'-[4-(substituted amino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]guanidines

  摘要：

  A series of 2-[[(dialkylamino)alkyl]amino]-4,6-bis(trichloromethyl)-1,3,5-triazines (III) and N-(4-chlorophenyl)-N'-[4-[[(dialkylamino)alkyl]amino]-6- (trichloromethyl)-1,3,5-triazin-2-yl]guanidines (IV) were prepared from 2,4,6-tris(trichloromethyl)-1,3,5-triazine and 2-chloro-4,6-bis(trichloromethyl)-1,3,5-triazine. Compounds of type III showed modest antimalarial activity while XIa with the camoquin side chain was more potent. Analogues of type IV broadly exhibited modest antimalarial activity.

  DOI：

  10.1021/jm00394a002

文献信息

• Substituted Triazines for Malaria Treatment and Chemoprophylaxis
  申请人：The United States of America, as represented by the Secretary of the Army, on behalf of the Walter

  公开号：US20150210652A1

  公开（公告）日：2015-07-30

  Disclosed herein are triazine compounds and methods of making and using thereof to treat malaria, provide chemoprophylaxis, and/or treat or inhibit infection by one or more Plasmodium spp.

  本文披露了三嗪化合物及其制备和使用方法，用于治疗疟疾，提供化学预防，以及治疗或抑制一种或多种疟原虫感染。
• Triazine Compounds and Compositions Thereof and Methods for Treating Malaria and Chemoprophylaxis
  申请人：Walter Reed Army Inst. of Research The USA, as represented by the Sec. of the Army, on behalf of the

  公开号：US20160213675A1

  公开（公告）日：2016-07-28

  Disclosed herein are triazine compounds and methods of making and using thereof to treat malaria, provide chemoprophylaxis, and/or treat or inhibit infection by one or more Plasmodium spp.

  本文披露了三嗪化合物及其制备和使用方法，用于治疗疟疾，提供化学预防，并/或治疗或抑制一种或多种疟原虫感染。
• TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS
  申请人：The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research

  公开号：EP2970153B1

  公开（公告）日：2018-02-21
• US9334246B2
  申请人：——

  公开号：US9334246B2

  公开（公告）日：2016-05-10
• US9700562B2
  申请人：——

  公开号：US9700562B2

  公开（公告）日：2017-07-11