N-{3-{4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino}-phenyl}-guanidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-{3-{4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino}-phenyl}-guanidine
• 英文别名: 2-[3-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]guanidine
• 化学式: C₁₆H₁₇N₇S
• 分子量: 339.424
• InChiKey: VWZDLVKDDGUUQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  143
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)pyrimidine-2-amine 在 钯 溶剂黄146 作用下， 以 乙二醇甲醚 为溶剂， 生成 N-{3-{4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino}-phenyl}-guanidine 、 N-{4-(2,4-dimethyl-thiazol-5-yl)-pyrimidin-2-yl}-benzene-1,3-diamine
  参考文献：
  名称：

  Anti-cancer compounds

  摘要：

  本发明涉及2-取代的4-杂环芳基嘧啶、其制备、含有它们的药物组合物以及它们作为细胞周期依赖性激酶（CDKs）抑制剂的用途，因此可用于治疗癌症、白血病、牛皮癣等增生性疾病。

  公开号：

  US20020019404A1

文献信息

• [EN] 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS<br/>[FR] 4-HETEROARYLE-PYRIMIDINES SUBSTITUEES EN 2 ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES PROLIFERANTS
  申请人：CYCLACEL LTD

  公开号：WO2001072745A1

  公开（公告）日：2001-10-04

  The present invention relates to 2-substituted 4-heteroaryl-pyrimidines,(Fig.I), wherein: X1 is CH and X2 is S; or one of X?1 and X2¿ is S, and the other of X?1 and X2¿ is N; Z is NH, NHCO, NHSO¿2?, NHCH2, CH2, CH2CH2, or CH=CH; R?1, R2 and R3¿ are independently H, alkyl, aryl, aralkyl, heterocycle, halogeno, NO¿2?, CN, OH, alkoxy, aryloxy, NH2, NH-R', N-(R')(R''), NH-COR', NH-aryl, N-(aryl)2, COOH, COO-R', COO-aryl, CONH2, CONH-R', CON-(R')(R''),CONH-aryl, CON-(aryl)2, SO3H, SO2NH2, CF3, CO-R', or CO-aryl, wherein alkyl, aryl, aralkyl, heterocycle and NH-aryl groups may be further substituted with one or more groups selected from halogeno, NO2, CN, OH, O-methyl, NH2, COOH, CONH2 and CF3; at least one of the groups R?1 and R2¿ being other than H when either X1 or X2 is S; R?4, R5, R6, R7 and R8¿ are independently from each other H, substituted or unsubstituted lower alkyl, halogeno, NO¿2?, CN, OH, substituted or unsubstituted alkoxy, NH2, NH-R', alkyl-aryl, alkyl-heteroaryl, NH(C=NH)NH2, N(R')3?+¿, N(R')(R''), COOH, COO-R', CONH¿2?, CONH-R', CON-(R')(R''), SO3H, SO2NH2, CF3 or (CH2)nO(CH2)m NR'R'', (CH2)nCO2(CH2)mOR''' wherein n is 0,1,2 or 3 and m is 1, 2 or 3; their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependant kinases (CDKs) and hence their use in the treatment of proliferative disorders such as cancer, leukaemia, psoriasis and the like.

  本发明涉及2-取代的4-杂环芳基嘧啶（图I），其中：X1为CH，X2为S；或X1和X2中的一个为S，另一个为N；Z为NH，NHCO，NHSO2，NHCH2，CH2，CH2CH2或CH=CH；R1，R2和R3独立地为H，烷基，芳基，芳基烷基，杂环，卤代，NO2，CN，OH，烷氧基，芳氧基，NH2，NH-R'，N-(R')(R'')，NH-COR'，NH-芳基，N-(芳基)2，COOH，COO-R'，COO-芳基，CONH2，CONH-R'，CON-(R')(R'')，CONH-芳基，CON-(芳基)2，SO3H，SO2NH2，CF3，CO-R'或CO-芳基，其中烷基，芳基，芳基烷基，杂环和NH-芳基基团可以进一步取代为卤代，NO2，CN，OH，O-甲基，NH2，COOH，CONH2和CF3中的一种或多种基团；当X1或X2为S时，R1和R2中至少有一个不为H；R4，R5，R6，R7和R8独立地为H，取代或未取代的低级烷基，卤代，NO2，CN，OH，取代或未取代的烷氧基，NH2，NH-R'，烷基-芳基，烷基-杂环芳基，NH(C=NH)NH2，N(R')3+，N(R')(R'')，COOH，COO-R'，CONH2，CONH-R'，CON-(R')(R'')，SO3H，SO2NH2，CF3或(CH2)nO(CH2)mNR'R''，其中n为0，1，2或3，m为1，2或3；它们的制备，包含它们的制药组合物以及它们作为细胞周期依赖性激酶（CDK）的抑制剂的用途，因此在治疗增生性疾病，如癌症，白血病，牛皮癣等方面使用。
• Anti-viral compounds
  申请人：Wang Shudong

  公开号：US20050288307A1

  公开（公告）日：2005-12-29

  The present invention relates to the use of 2-substituted 4-heteroaryl-pyrimidines and related compounds in the treatment of viral disorders.

  本发明涉及使用2-取代的4-杂环基嘧啶和相关化合物治疗病毒性疾病。
• 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：Cyclacel Limited

  公开号：EP1274705A1

  公开（公告）日：2003-01-15
• ANTI-VIRAL COMPOUNDS
  申请人：Cyclacel Limited

  公开号：EP1581231A1

  公开（公告）日：2005-10-05
• US6531479B2
  申请人：——

  公开号：US6531479B2

  公开（公告）日：2003-03-11