2-(1-adamantyl)-1-(4-chlorophenyl)-2H-1,3,5-triazine-4,6-diamine

• 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: 2-(1-adamantyl)-1-(4-chlorophenyl)-2H-1,3,5-triazine-4,6-diamine
• 化学式: C₁₉H₂₄ClN₅
• 分子量: 357.9
• InChiKey: DXWXMSHEPQLXGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• Series Of New 4,6-Diamino-1,2-Dihydro-1-Aryl-1,3,5-Triazines, Substituted By An Adamantyl Moiety In The Position 2 Of Triazine-Their Corresponding Salts, Isomers,Steroisomers, Enantiomers, Free Bases And The Complexes Of All The Above With Natural Macromolecules And Their Synthetic Derivatives.
  申请人：Antoniadou-Vyza Ekaterini

  公开号：US20080045477A1

  公开（公告）日：2008-02-21

  A series of new 4,6-diamino-1,2-dihydro-1-aryl-2-(-tricyclo[3.3.1.1 3,7 ]decyl]-1,3,5-triazines where the aryl group is a substituted or unsubstituted phenyl, or naphthyl-group, as pharmaceutically accepted salts or as free bases. The phenyl group substituents are halides, alkyls, alkoxyls or nitro group. One or more of the above substituents are found one or more times each one, and in various positions of the phenyl group. The corresponding isomers, stereoisomers, enantiomers, free bases and their complexes with various natural macromolecules and synthetic derivatives of them. The invention refers to new and prototype compounds inhibiting the proliferation of unwanted cells that belong to pathogenic microorganisms, to human tissues, to pathological cells, or any pathological cell proliferation. It also refers to the synthesis and the method of synthesis of the above mentioned compounds. The synthesis and the method of synthesis thereof of a series characterized by the preparation of the final triazines, by cyclization of the bigouanide hydrochlorides with adamantane-1-carboxaldehyde. Preparation of the inclusion complexes is realized from compexation of the corresponding hydrochlorides of the above mentioned triazines with natural macromolecules or synthetic derivatives.

  一系列新的4,6-二氨基-1,2-二氢-1-芳基-2-(-三环[3.3.1.13,7]癸基)-1,3,5-三嗪，其中芳基是取代或未取代的苯基或萘基，以药学接受的盐或自由碱的形式。苯基取代基包括卤素、烷基、烷氧基或硝基。以上取代基中的一个或多个在苯基的不同位置上出现一次或多次。对应的同分异构体、对映异构体、自由碱及其与各种天然大分子和它们的合成衍生物的复合物。本发明涉及抑制属于病原微生物、人类组织、病理细胞或任何病理细胞增殖的不需要的细胞增殖的新型原型化合物。还涉及上述化合物的合成和合成方法。该系列的合成和合成方法的特征是通过将双胍盐酸盐与金刚烷-1-甲醛环化制备最终的三嗪。包含复合物的制备是通过将上述三嗪的相应盐酸盐与天然大分子或合成衍生物的络合作用实现的。
• 2-ADAMANTYL-4,6-DIAMINO-1,2-DIHYDRO-1-ARYL-1,3,5-TRIAZINE DERIVATIVES AS CELL PROLIFERATION INHIBITORS
  申请人：Antoniadou-Vyza, Ekaterini

  公开号：EP1417185A2

  公开（公告）日：2004-05-12
• [EN] A SERIES OF NEW 4,6-DIAMINO-1,2-DIHYDRO-1-ARYL-1,3,5-TRIAZINES, SUBSTITUTED BY AN ADAMANTYL MOIETY IN THE POSITION 2 OF TRIAZINE. THEIR CORRESPONDING SALTS, ISOMERS, STEREOISOMERS, ENANTIOMERS, FREE BASES AND THE COMPLEXES OF ALL THE ABOVE WITH NATURAL MACROMOLECULES AND THEIR SYNTHETIC DERIVATIVES<br/>[FR] SERIES DE 4,6-DIAMINO-1,2-DIHYDRO-1-ARYL-1,3,5-TRIAZINES, SUBSTITUEES PAR UN FRAGMENT ADAMANTYLE EN POSITION 2 DE LA TRIAZINE, LEURS SELS, ISOMERES, STEREOISOMERES, ENANTIONERES, BASES LIBRES CORRESPONDANTS, ET COMPLEXES DE TOUS LES COMPOSES PRECITES AVEC DES MACROMOLECULES NATURELLES ET LEURS DERIVES SYNTHETIQUES
  申请人：ANTONIADOU-VYZA EKATERINI

  公开号：WO2002102784A2

  公开（公告）日：2002-12-27

  A series of new 4,6-diamino-1,2-dihydro-1-aryl-2-(1-tricyclo[3.3.1.13,7] decyl]-1,3,5-triazines where the aryl group is a subst ituted or unsubstituted phenyl, or naphthyl- group, as pharmaceutically accepted salts or as free bases.The phenyl group substituents are halides, alkyls, alkoxyls or nitro group. One or more of the above substituents are found one or more times each one, and in various positions of the phenyl group.The corresponding isomers, stereoisomers, enantiomers, free bases and their complexes with various natural macromolecules and synthetic derivatives of them.The invention refers to new and prototype compounds inhibiting the proliferation of unwanted cells that belong to pathogenic microorganisms, to human tissues, to pathological cells, or any pathological cell proliferation. It also refers to the synthesis and the method of synthesis of the above mentioned compounds.The synthesis and the method of synthesis thereof of a series characterized by the preparation of the final triazines, by cyclization of the bigouanide hydrochlorides with adamantane-1-carboxaldehyde. Preparation of the inclusion complexes is realized from compexation of the corresponding hydrochlorides of the above mentioned triazines with natural macromolecules or synthetic derivatives.