4-(6-fluoro-1H-indol-1-yl)pyrimidin-2-amine | 1401517-67-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-(6-fluoro-1H-indol-1-yl)pyrimidin-2-amine
• 英文别名: 4-(6-fluoroindol-1-yl)pyrimidin-2-amine
• CAS: 1401517-67-6
• 化学式: C₁₂H₉FN₄
• 分子量: 228.229
• InChiKey: YCQDQQRGBMNFGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-氟吲哚 、 2-氨基-4-氯嘧啶 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 0.5h， 以25%的产率得到4-(6-fluoro-1H-indol-1-yl)pyrimidin-2-amine
  参考文献：
  名称：

  [EN] NOVEL RHO KINASE INHIBITORS AND METHODS OF USE
  [FR] NOUVEAUX INHIBITEURS DE LA RHO-KINASE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2012135697A3

文献信息

• NOVEL RHO KINASE INHIBITORS AND METHODS OF USE
  申请人：H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC.

  公开号：US20140179689A1

  公开（公告）日：2014-06-26

  The subject invention concerns materials and methods for treating diseases and disorders associated with expression of Rho associated kinases (ROCKs). Examples of diseases and disorders contemplated within the scope of the invention include, but are not limited to, oncological disorders, cardiovascular diseases, CNS disorders, and inflammatory disorders. In one embodiment, a method of the invention comprises administering a therapeutically effective amount of one or more compounds of the present invention, or a composition comprising the compounds, to a person or animal in need of treatment. The subject invention also concerns compounds that inhibit ROCKs, and compositions that comprise the inhibitor compounds of the invention. Compounds contemplated within the scope of the invention include, but are not limited to, those compounds shown in Table 5.

  本发明涉及用于治疗与Rho相关激酶（ROCKs）表达相关的疾病和疾病的材料和方法。本发明范围内考虑的疾病和疾病的示例包括但不限于肿瘤学疾病，心血管疾病，中枢神经系统疾病和炎症性疾病。在一种实施方式中，本发明的方法包括向需要治疗的人或动物施用本发明的一种或多种化合物的治疗有效量，或含有该化合物的组合物。本发明还涉及抑制ROCKs的化合物和包含该抑制剂化合物的组合物。本发明范围内考虑的化合物包括但不限于表5中显示的那些化合物。
• 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF
  申请人：Guangzhou Bebetter Medicine Technology Co., Ltd.

  公开号：EP3345900A1

  公开（公告）日：2018-07-11

  Provided are a 2, 4-di-(nitrogen containing group) substituted pyrimidine compound represented by a general formula (I), a pharmaceutically acceptable salt and a stereoisomer thereof, a preparation method thereof, and a use thereof in preparation of anti-tumor drugs. The compound having a structural feature shown in the general formula (I) can selectively suppress activity of mutant epidermal growth factor receptors (EGFR), including single-mutant EGFR (T790M) and double-mutant EGFR (including L858R/T790M and ex19del/T790M), and can suppress activity of single gain-of-function mutant EGFR (including L858R and ex19del) as well. The compound has a weak suppression effect on wild-type EFGR and a very high selectivity, and thus it has a potential to be used in preparation of drugs for treating EGFR mutant tumors, especially non-small cell lung cancer (NSCLC) comprising a T790M EGFR mutation.

  本发明提供了通式（I）代表的2，4-二（含氮基团）取代的嘧啶化合物、其药学上可接受的盐和立体异构体、其制备方法以及其在制备抗肿瘤药物中的用途。具有通式（I）所示结构特征的化合物可以选择性地抑制突变型表皮生长因子受体（EGFR）的活性，包括单突变型表皮生长因子受体（T790M）和双突变型表皮生长因子受体（包括 L858R/T790M 和 ex19del/T790M），还可以抑制单功能增益突变型表皮生长因子受体（包括 L858R 和 ex19del）的活性。该化合物对野生型 EFGR 的抑制作用较弱，且具有极高的选择性，因此有望用于制备治疗表皮生长因子受体突变肿瘤的药物，尤其是治疗表皮生长因子受体 T790M 突变的非小细胞肺癌（NSCLC）。
• [EN] NOVEL RHO KINASE INHIBITORS AND METHODS OF USE<br/>[FR] NOUVEAUX INHIBITEURS DE LA RHO-KINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：H LEE MOFFITT CANCER CT & RES

  公开号：WO2012135697A3

  公开（公告）日：2013-01-17
• 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF
  申请人：GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD.

  公开号：US20200165227A1

  公开（公告）日：2020-05-28

  Provided are a 2, 4-di-(nitrogen containing group) substituted pyrimidine compound represented by a general formula (I), a pharmaceutically acceptable salt and a stereoisomer thereof, a preparation method thereof, and a use thereof in preparation of anti-tumor drugs. The compound having a structural feature shown in the general formula (I) can selectively suppress activity of mutant epidermal growth factor receptors (EGFR), including single-mutant EGFR (T790M) and double-mutant EGFR (including L858R/T790M and ex19del/T790M), and can suppress activity of single gain-of-function mutant EGFR (including L858R and ex19del) as well. The compound has a weak suppression effect on wild-type EFGR and a very high selectivity, and thus it has a potential to be used in preparation of drugs for treating EGFR mutant tumors, especially non-small cell lung cancer (NSCLC) comprising a T790M EGFR mutation.
• US9616064B2
  申请人：——

  公开号：US9616064B2

  公开（公告）日：2017-04-11