4-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile
• 化学式: C₁₉H₂₀N₆
• 分子量: 332.4
• InChiKey: KLURJPAZARVPGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Therapeutic applications of 2-substituted 4-heteroarylpyrimidines
  申请人：Wang Shudong

  公开号：US20050282843A1

  公开（公告）日：2005-12-22

  The present invention relates to the use of a compound of formula I, or a pharmaceutically acceptable salt thereof, wherein (A) one of X and Y is S, and the other is N; or one of X and Y is NH or N—R 5 , and the other is C—R 6 ; “a” is a single bond; “b”, “c”, “d”, “e” and “f” are single or double bonds so as to form a heteroaryl ring; R 1 is is R 7 with the proviso that R 1 is other than H or Me; or (B) one of X and Y is S, and the other is NH or N—R 5 ; “a” and “d” are each double bonds; “b”, “c”, “e” and “f” are each single bonds; R 1 is oxo; and R 2 , R 3 , R 4 , R 5 , and R 6 are each independently H or R 7 ; R 7 is a group (CH 2 ) n —R 8 , wherein n is 0, 1, 2, 3 or 4 and wherein R 8 is selected from alkyl, aryl, heteroaryl, heterocycloalkyl, F, Cl, Br, I, CF 3 , NO 2 , CN, OH, O-alkyl, O-aryl, O-heteroaryl, O-heterocycloalkyl, CO-alkyl, CO-aryl, CO-heteroaryl, CO-heterocycloalkyl, COO-alkyl, NH 2 , NH-alkyl, NH-aryl, N(alkyl) 2 , NH-heteroaryl, NH-heterocycloalkyl, COOH, CONH 2 , CONH-alkyl, CON(alkyl) 2 , CONH-aryl, CONH-heteroaryl, CONH-heterocycloalkyl, SO 3 H, SO 2 -alkyl, SO 2 -aryl, SO 2 -heteroaryl, SO 2 -heterocycloalkyl, SO 2 NH 2 , SO 2 NH-alkyl, SO 2 N(alkyl) 2 , SO 2 NH-aryl, SO 2 NH-heteroaryl, or SO 2 NH-heterocycloalkyl, wherein said alkyl, aryl, heteroaryl, and heterocycloalkyl groups are optionally substituted with one or more groups selected from halogeno, NO 2 , OH, O-methyl, NH 2 , COOH, CONH 2 and CF 3 ; in the preparation of a medicament for treating diabetes. The compounds of the invention also have applications in the treatment of CNS disorders, alopecia, cardiovascular disorders and stroke.

  本发明涉及使用公式I的化合物或其药学上可接受的盐，其中(A) X和Y中的一个是S，另一个是N；或者X和Y中的一个是NH或N-R5，另一个是C-R6；“a”是单键；“b”，“c”，“d”，“e”和“f”是单键或双键，以形成杂环芳基环；R1是R7，但R1不是H或Me；或(B) X和Y中的一个是S，另一个是NH或N-R5；“a”和“d”均为双键；“b”，“c”，“e”和“f”均为单键；R1是氧代；R2，R3，R4，R5和R6均独立地为H或R7；R7是(CH2)n-R8基团，其中n为0、1、2、3或4，而R8是选自烷基、芳基、杂芳基、杂环烷基、F、Cl、Br、I、CF3、NO2、CN、OH、O-烷基、O-芳基、O-杂芳基、O-杂环烷基、CO-烷基、CO-芳基、CO-杂芳基、CO-杂环烷基、COO-烷基、NH2、NH-烷基、NH-芳基、N(烷基)2、NH-杂芳基、NH-杂环烷基、COOH、CONH2、CONH-烷基、CON(烷基)2、CONH-芳基、CONH-杂芳基、CONH-杂环烷基、SO3H、SO2-烷基、SO2-芳基、SO2-杂芳基、SO2-杂环烷基、SO2NH2、SO2NH-烷基、SO2N(烷基)2、SO2NH-芳基、SO2NH-杂芳基或SO2NH-杂环烷基的基团，其中所述的烷基、芳基、杂芳基和杂环烷基基团可以选择地用一种或多种从卤代、NO2、OH、O-甲基、NH2、COOH、CONH2和CF3中选择的基团进行取代；用于制备治疗糖尿病的药物。本发明的化合物还可用于治疗中枢神经系统疾病、脱发、心血管疾病和中风。
• Inhibitors of cyclin dependent kinases as anti-cancer agent
  申请人：——

  公开号：US20040132746A1

  公开（公告）日：2004-07-08

  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、它们的制备、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，因此可用于治疗增殖性疾病，如癌症、白血病、牛皮癣等。
• INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT
  申请人：Cyclacel Limited

  公开号：EP1373253A1

  公开（公告）日：2004-01-02
• THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES
  申请人：Cyclacel Limited

  公开号：EP1572211A1

  公开（公告）日：2005-09-14
• US7262202B2
  申请人：——

  公开号：US7262202B2

  公开（公告）日：2007-08-28