4-((4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl)amino)benzonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl)amino)benzonitrile
• 英文别名: 4-[[4-Amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
• 化学式: C₁₈H₁₆N₆O
• 分子量: 332.365
• InChiKey: OEBVKUXFJFYGMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-((4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl)amino)benzonitrile 在 氨 作用下， 以 异丙醇 为溶剂， 以62%的产率得到4-((4-amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl)amino)benzonitrile
  参考文献：
  名称：

  From human immunodeficiency virus non-nucleoside reverse transcriptase inhibitors to potent and selective antitrypanosomal compounds

  摘要：

  The presence of a structural recognition motif for the nucleoside P2 transporter in a library of pyrimidine and triazine non-nucleoside HIV-1 reverse transcriptase inhibitors, prompted for the evaluation of antitrypanosomal activity. It was demonstrated that the structure-activity relationship for anti-HIV and antitrypanosomal activity was different. Optimization in the diaryl triazine series led to 6-(mesityloxy)-N2-phenyl-1,3,5-triazine-2,4-diamine (69), a compound with potent in vitro and moderate in vivo antitrypanosomal activity.

  DOI：

  10.1016/j.bmc.2014.08.005

文献信息

• [EN] DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES<br/>[FR] DIMÈRES DE TRIAZINE DISUBSTITUÉE POUR LE TRAITEMENT E/OU LA PRÉVENTION DE MALADIES INFECTIEUSES
  申请人：UNIV ANTWERPEN

  公开号：WO2013068551A1

  公开（公告）日：2013-05-16

  The present invention relates to novel compounds (I) containing two disubstituted triazine rings covalently linked by an organic linker, thereby creating dimers. These compounds show activity against the causative infective agents of infectious diseases such as African trypanosomiasis, Chagas disease, Leishmaniasis, Malaria and HIV. The invention further relates to the prevention and/or treatment of these diseases.

  本发明涉及一种新型化合物（I），其中包含通过有机连接剂共价连接的两个二取代三嗪环，从而形成二聚体。这些化合物对致病的传染病如非洲锥虫病、克氏病、利什曼病、疟疾和艾滋病的感染性病原体表现出活性。该发明还涉及预防和/或治疗这些疾病。
• DISUBSTITUTED TRIAZINE DIMERS FOR TREATMENT AND/OR PREVENTION OF INFECTIOUS DISEASES
  申请人：LEWI Wim

  公开号：US20140323488A1

  公开（公告）日：2014-10-30

  The present invention relates to novel compounds (I) containing two disubstituted triazine rings covalently linked by an organic linker, thereby creating dimers. These compounds show activity against the causative infective agents of infectious diseases such as African trypanosomiasis, Chagas disease, Leishmaniasis, Malaria and HIV. The invention further relates to the prevention and/or treatment of these diseases.

  本发明涉及包含两个二取代三嗪环的新化合物（I），通过有机连接物共价连接，从而形成二聚体。这些化合物对引起传染病如非洲锥虫病、克氏病、利什曼病、疟疾和艾滋病的致病性感染剂表现出活性。该发明还涉及这些疾病的预防和/或治疗。
• Antiviral compositions
  申请人：Verreck Geert

  公开号：US20060127487A1

  公开（公告）日：2006-06-15

  The present invention is concerned with pharmaceutical compositions of antiviral compounds which can be administered to a mammal, in particular a human, suffering from a viral infection. These compositions comprise particles obtainable by melt-extruding a mixture comprising one or more antiviral compounds and one or more appropriate water-soluble polymers and subsequently milling said melt-extruded mixture.

  本发明涉及药物组合物，包括抗病毒化合物，可用于治疗哺乳动物，尤其是人类，患有病毒感染。这些组合物包括通过熔融挤出混合物制备的颗粒，该混合物包括一种或多种抗病毒化合物和一种或多种适当的水溶性聚合物，并随后对该熔融挤出的混合物进行磨碎。
• Trisubstituted 1,3,5-triazine derivatives
  申请人：——

  公开号：US20020115668A1

  公开（公告）日：2002-08-22

  This invention concerns the use of the compounds of formula 1 the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein A is CH, CR 4 or N; n is 0, 1, 2, 3 or 4; R 1 and R 2 are each independently selected from hydrogen, hydroxy, C 1-12 alkyl, C 1-12 alkyloxy, C 1-12 alkylcarbonyl, C 1-12 alkyloxycarbonyl, aryl, amino, mono- or di(C 1-12 alkyl)amino, mono- or di(C 1-12 alkyl)aminocarbonyl wherein each of the aforementioned C 1-12 alkyl groups may optionally and each individually be substituted; or R 1 and R 2 taken together may form pyrrolidinyl, piperidinyl, morpholinyl, azido or mono- or di(C 1-12 alkyl)aminoC 1-4 alkylidene; R 3 is hydrogen, aryl, C 1-6 alkylcarbonyl, optionally substituted C 1-6 alkyl; and each R 4 independently is hydroxy, halo, C 1-6 alkyl, C 1-6 alkyloxy, cyano, aminocarbonyl, nitro, amino, trihalomethyl or trihalomethyloxy; L is —X—R 5 or —X—Alk—R 6 ; wherein R 5 and R 6 each independently are indanyl, indolyl or phenyl; each of said indanyl, indolyl or phenyl may be substituted; and X is —NR 3 —, —NH—NH—, —N═N—, —O—, —S —, —S(═O)— or —S(═O) 2 —; aryl is optionally substituted phenyl; Het is an optionally substituted aliphatic or aromatic heterocyclic radical; for the manufacture of a medicine for the treatment of subjects suffering from HIV (Human Immunodeficiency Virus) infection. It further relates to new compounds being a subgroup of the compounds of formula (I), their preparation and pharmaceutical compositions comprising them.

  本发明涉及使用式子1化合物的N-氧化物、药学上可接受的加合盐及其立体化学异构体，其中A为CH、CR4或N；n为0、1、2、3或4；R1和R2分别选自氢、羟基、C1-12烷基、C1-12烷氧基、C1-12烷基羰基、C1-12烷氧羰基、芳基、氨基、单烷基或双烷基氨基、单烷基或双烷基氨基羰基，其中上述每个C1-12烷基基团均可选择性地且各自独立地被取代；或R1和R2在一起可以形成吡咯啉基、哌啶基、吗啉基、偶氮基或单烷基或双烷基氨基C1-4烷基亚甲基；R3为氢、芳基、C1-6烷基羰基、可选择性取代的C1-6烷基；每个R4独立地为羟基、卤素、C1-6烷基、C1-6烷氧基、氰基、氨基羰基、硝基、氨基、三卤甲基或三卤甲氧基；L为—X—R5或—X—Alk—R6；其中R5和R6各自独立地为茚芳基、吲哚芳基或苯基；所述茚芳基、吲哚芳基或苯基中的每一个均可取代；X为—NR3—、—NH—NH—、—N═N—、—O—、—S—、—S(═O)—或—S(═O)2—；芳基为可选择性取代的苯基；Het为可选择性取代的脂肪族或芳香族杂环基，用于制造治疗HIV（人类免疫缺陷病毒）感染患者的药物。此外，本发明还涉及新化合物，它们是式（I）化合物的一个亚组，它们的制备以及包含它们的制药组合物。
• ANTIVIRAL COMPOSITIONS
  申请人：Verreck Geert

  公开号：US20070196478A1

  公开（公告）日：2007-08-23

  The present invention is concerned with pharmaceutical compositions of antiviral compounds which can be administered to a mammal, in particular a human, suffering from a viral infection. These compositions comprise particles obtainable by melt-extruding a mixture comprising one or more antiviral compounds and one or more appropriate water-soluble polymers and subsequently milling said melt-extruded mixture.

  本发明涉及抗病毒化合物的制药组合物，可用于治疗哺乳动物，特别是人类患有病毒感染的情况。这些组合物包括通过熔融挤出包含一种或多种抗病毒化合物和一种或多种适当的水溶性聚合物的混合物所获得的颗粒，并随后对该熔融挤出混合物进行研磨。