6-phenylamino-9H-purine-2(3H)-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-phenylamino-9H-purine-2(3H)-thione
• 英文别名: 6-Anilino-1,7-dihydropurine-2-thione
• 化学式: C₁₁H₉N₅S
• 分子量: 243.292
• InChiKey: XUAOQZHAXPELTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.9
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-Benzylthio-6-anilinopurine 在 氨 、 sodium 、 氯化铵 、 溶剂黄146 作用下， 以 水 为溶剂， 生成 6-phenylamino-9H-purine-2(3H)-thione
  参考文献：
  名称：

  SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES

  摘要：

  该发明涉及一般式I的取代6-苯胺嘧啶衍生物，其中R表示从氢、卤素、羟基、氨基、烷氧基和烷基组成的群体中独立选择的一个至五个取代基，R2表示氨基、卤素、硝基、硫代基、烷硫基或烷基，用作细胞分裂素氧化酶/脱氢酶的抑制剂。该发明还涉及含有这些衍生物的组合物。

  公开号：

  US20100190806A1

文献信息

• Synthesis of New 1-Chalcogenapurines by the Reaction of 5-Aminoimidazole-4-carbonitrile with Isochalcogenocyanates
  作者：Hiroatsu Matsumoto、Sumiko Hara、Nobuyuki Nagata、Kazuyoshi Ikeda、Yoshihisa Mizuno

  DOI：10.3987/com-94-6871

  日期：——

  1-Chalcogenapurines[1-thiapurine derivatives (6,12c,d) and 1-selenapurine derivative (15)] and 1-substituted 1,6-dihydro-6-imino-9H-purine-2(3H)-chalcogenone (4a,b, 13) were synthesized by the reaction of 5(4)-aminoimidazole-4(5)-carbonitrile(3)with various isochalcogenocyanates in pyridine. The reaction of 3 with methyl isothiocyanate in pyridine afforded on ly the 1,6-dihydro-1-methyl-6-imino-9H-purine-2(3H)-thione (4a). On the other hand, the reactions of 3 with ethoxycarbonyl isothiocyanate, benzoyl isothiocyanate or benzhydryl isoselenocyanate preferentially gave the 1-chalcogenapurine derivatives (12c,d, 15), In turn, both 1,6-dihydro-1-phenyl-6-imino-9H-purine-2(3H)-thione (4b) and 6,9-dihydro-2-phenylamino-6-(3-phenylthioureido)imino-1-thiapurine (6) were produced by the reaction of 3 with phenyl isothiocyanate. Modes of cyclization reactions involving 3 and isochalcogenocyanate (R-N=C=X, X; S,Se) depend in remarkable extent on the chalcogene atom as well as R portion of R-N=C=X.
• US8222260B2
  申请人：——

  公开号：US8222260B2

  公开（公告）日：2012-07-17
• [EN] SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES<br/>[FR] DÉRIVÉS DE 6-ANILINOPURINE SUBSTITUÉE EN TANT QU'INHIBITEURS DE LA CYTOKININE OXYDASE/DÉSHYDROGÉNASE ET PRÉPARATIONS CONTENANT CES DÉRIVÉS
  申请人：UNIVERZITA PALACKEHO V OLOMOUC

  公开号：WO2009003428A2

  公开（公告）日：2009-01-08

  The invention relates to substituted 6-anilinopurine derivatives of the general formula I, wherein R denotes one to five substituents independently selected from the group consisting of hydrogen, halogen, hydroxyl, amino, alkyloxy and alkyl group, and R2 denotes amino, halogen, nitro, thio, alkylthio or alkyl group for use as inhibitors of cytokinin oxidase/dehydrogenase. The invention also relates to the compositions containing these derivatives.
• SUBSTITUTED 6-ANILINOPURINE DERIVATIVES AS INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE AND PREPARATIONS CONTAINING THESE DERIVATIVES
  申请人：Spichal Lukas

  公开号：US20100190806A1

  公开（公告）日：2010-07-29

  The invention relates to substituted 6-anilinopurine derivatives of the general formula I, wherein R denotes one to five substituents independently selected from the group consisting of hydrogen, halogen, hydroxyl, amino, alkyloxy and alkyl group, and R2 denotes amino, halogen, nitro, thio, alkylthio or alkyl group for use as inhibitors of cytokinin oxidase/dehydrogenase. The invention also relates to the compositions containing these derivatives.

  该发明涉及一般式I的取代6-苯胺嘧啶衍生物，其中R表示从氢、卤素、羟基、氨基、烷氧基和烷基组成的群体中独立选择的一个至五个取代基，R2表示氨基、卤素、硝基、硫代基、烷硫基或烷基，用作细胞分裂素氧化酶/脱氢酶的抑制剂。该发明还涉及含有这些衍生物的组合物。