5-{2-[6-(2-dimethylaminoethylamino)pyridin-3-ylamino]pyrimidin-4-yl}-2-((S)-3-fluoropyrrolidin-1-yl)benzonitrile | 1356226-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-{2-[6-(2-dimethylaminoethylamino)pyridin-3-ylamino]pyrimidin-4-yl}-2-((S)-3-fluoropyrrolidin-1-yl)benzonitrile
• 英文别名: US8962609, Dmx-69；5-[2-[[6-[2-(dimethylamino)ethylamino]pyridin-3-yl]amino]pyrimidin-4-yl]-2-[(3S)-3-fluoropyrrolidin-1-yl]benzonitrile
• CAS: 1356226-59-9
• 化学式: C₂₄H₂₇FN₈
• 分子量: 446.53
• InChiKey: NGQHJZXAWIBXQH-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Perrior Trevor Robert

  公开号：US20130267491A1

  公开（公告）日：2013-10-10

  C Compounds of the general formula (I) and salts thereof are useful in the treatment of diseases associated with aberrant activity of the protein kinases IKKε and/or TBK-1: in which: R 1 represents an aliphatic heterocyclyl group having 4, 5, 6 or 7 ring atoms, bonded to the phenyl group shown in formula I through a ring nitrogen atom, and optionally substituted by one or more substituents defined in the Specification; R 2 represents a phenyl or heteroaryl group which is optionally substituted by one or more substituents defined in the Specification; and each of R 3 and R 4 independently represents a hydrogen atom or a C 1-4 alkyl group.

  通式（I）的化合物及其盐在治疗与蛋白激酶IKKε和/或TBK-1的异常活性相关的疾病方面是有用的：其中：R1代表通过一个环氮原子与通式I中所示的苯基相连的具有4、5、6或7个环原子的脂肪族杂环基，可选地被本说明书中定义的一个或多个取代基取代；R2代表一个苯基或杂环基，可选地被本说明书中定义的一个或多个取代基取代；R3和R4各自独立地代表氢原子或C1-4烷基。
• Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them
  申请人：Domainex Limited

  公开号：EP2595964B1

  公开（公告）日：2015-04-29
• US8962609B2
  申请人：——

  公开号：US8962609B2

  公开（公告）日：2015-02-24