N-[4-(二甲基氨基)苯基]胍 | 67453-82-1

• 物质功能分类: 化学试剂 - 有机试剂 - 胍盐
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-[4-(二甲基氨基)苯基]胍
• 英文名称: 1-[4-(dimethylamino)phenyl]guanidine
• 英文别名: p-dimethylaminophenylguanidine；(4-dimethylamino-phenyl)-guanidine；(4-Dimethylamino-phenyl)-guanidin；4-Guanidino-dimethylanilin；N-(4-dimethylamino-phenyl)-guanidine；N-[4-(dimethylamino)phenyl]guanidine；2-[4-(dimethylamino)phenyl]guanidine
• CAS: 67453-82-1
• 化学式: C₉H₁₄N₄
• 分子量: 178.237
• InChiKey: NAAHSJLHESEXLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-6-(morpholinomethylene)-5,6-dihydro-4H-benzothiazol-7-one 、 N-[4-(二甲基氨基)苯基]胍 在 sodium hydroxide 作用下， 以 甲乙醚 为溶剂， 反应 22.0h， 以92%的产率得到2-methyl-N-(4-(dimethylamino)phenyl)-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amine
  参考文献：
  名称：

  设计，合成和评价2-甲基和2-氨基-N-芳基-4,5-二氢噻唑并[4,5- h ]喹唑啉-8-胺作为环受限的2-苯胺基-4-（噻唑- 5-基）嘧啶细胞周期蛋白依赖性激酶抑制剂

  摘要：

  在最近发现并开发了2-苯胺基-4-（噻唑-5-基）嘧啶细胞周期蛋白依赖性激酶（CDK）抑制剂后，启动了一个程序来评估相关的环受限类似物，特别是2-甲基和2-氨基-N-芳基-4，5-二氢噻唑并[4，5- h ]喹唑啉-8-胺用于抑制CDKs。在这里我们报告了这些第二代CDK抑制剂的合理设计，合成，结构活性关系（SAR）和细胞作用模式。该化学系列中的许多类似物均以极低的纳摩尔K i值抑制CDK 。这项研究中报道的最有效的化合物以IC 50抑制CDK2为0.7 nM（[ATP] = 100μM）。此外，化学代表物2-甲基-N-（3-（硝基）苯基）-4,5-二氢噻唑并[4,5 - h ]喹唑啉-8-胺（11g）的X射线晶体结构报道了与细胞周期蛋白A-CDK2复合的一系列系列，证实了CDK2 ATP结合口袋中的设计原理和预期的结合方式。

  DOI：

  10.1021/jm901660c
• 作为产物：
  描述：

  亚硝基胍 、 N,N-二甲基-对苯二胺 在 水 作用下， 生成 N-[4-(二甲基氨基)苯基]胍
  参考文献：
  名称：

  A Comparison of the Reactions of Some Amines with Nitrosoguanidine, Cyanamide and S-Methylisothiourea Hydrochlorides^1a,1b

  摘要：

  DOI：

  10.1021/ja01535a047

文献信息

• Anti-cancer compounds
  申请人：——

  公开号：US20020019404A1

  公开（公告）日：2002-02-14

  The present invention relates to 2-substituted 4-heteroaryl-pyrimidines, their preparation, pharmaceutical compositions containing them and their use as inhibitors of cyclin-dependent 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、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。
• a2-Adrenoceptor Ligands
  申请人：Rozas Hernando Maria Isabel

  公开号：US20100160332A1

  公开（公告）日：2010-06-24

  The adrenergic receptors or adrenoceptors are a family of G-protein coupled receptors split into α and β subclasses. The adrenoceptors have important roles in regulating a myriad of physiological conditions and their malfunction has been implicated in the pathophysiology of a number of diseases. Disclosed herein are a series of novel compounds which are ligands of the alpha2-adrenoceptor (α 2 -ARs) subclass of adrenergic receptors. The invention also provides for pharmaceutical compositions comprising the novel compounds. The compounds are suitable for use in the manufacture of medicaments for the treatment of α 2 -ARs associated disorders, such as depression and schizophrenia.

  肾上腺素受体或肾上腺素受体是一类G蛋白偶联受体家族，分为α和β亚类。肾上腺素受体在调节多种生理条件中起着重要作用，其功能异常已被认为与多种疾病的病理生理有关。本文披露了一系列新颖化合物，这些化合物是肾上腺素受体中α2-肾上腺素受体（α2-ARs）亚类的配体。本发明还提供了包含这些新颖化合物的药物组合物。这些化合物适用于制造用于治疗与α2-肾上腺素受体相关疾病的药物，如抑郁症和精神分裂症。
• [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 useful for the treatment of proliferative disorders
  申请人：Wang Shudong

  公开号：US20090137572A1

  公开（公告）日：2009-05-28

  The present invention relates to selected substituted pyrimidines their preparation, pharmaceutical compositions containing them and their use as inhibitors of one or more protein kinases, and hence their use in the treatment of proliferative disorders, viral disorders and/or other disorders.

  本发明涉及选定的取代嘧啶及其制备方法，含有它们的制药组合物以及它们作为一种或多种蛋白激酶抑制剂的用途，因此可用于治疗增殖性疾病、病毒性疾病和/或其他疾病。