1-{4-[2-(6-acetylaminopyridin-3-ylamino)pyrimidin-4-yl]-2-cyanophenyl}piperidine-4-carboxylic acid amide | 1356226-21-5

• 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: 1-{4-[2-(6-acetylaminopyridin-3-ylamino)pyrimidin-4-yl]-2-cyanophenyl}piperidine-4-carboxylic acid amide
• 英文别名: 1-{4-[2-(6-Acetylamino-pyridin-3-ylamino)-pyrimidin-4-yl]-2-cyano-phenyl}-piperidine-4-carboxylic acid amide；1-[4-[2-[(6-acetamidopyridin-3-yl)amino]pyrimidin-4-yl]-2-cyanophenyl]piperidine-4-carboxamide
• CAS: 1356226-21-5
• 化学式: C₂₄H₂₄N₈O₂
• 分子量: 456.507
• InChiKey: FIHBTFGQEDUHQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  哌啶-4-甲酰胺 、 N-{5-[4-(3-cyano-4-fluorophenyl)pyrimidin-2-ylamino]pyridin-2-yl}acetamide 在 crude compound 作用下， 以 正丁醇 为溶剂， 反应 48.0h， 以to obtain the desired product as pale yellow powder (38 mg, 29%)的产率得到1-{4-[2-(6-acetylaminopyridin-3-ylamino)pyrimidin-4-yl]-2-cyanophenyl}piperidine-4-carboxylic acid amide
  参考文献：
  名称：

  Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them

  摘要：

  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中很有用：其中：R1代表通过环氮原子与公式I中所示的苯基结合的具有4、5、6或7个环原子的脂肪族杂环基，并且可以选择地被定义在规范中的一个或多个取代基取代；R2代表一个苯基或杂环基，可以选择地被定义在规范中的一个或多个取代基取代；R3和R4中的每一个独立地代表氢原子或C1-4烷基。

  公开号：

  US08962609B2

文献信息

• [EN] PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] PYRIMIDINES AU TITRE D'INHIBITEURS DE PROTÉINES KINASES IKK EPSILON ET/OU TBK-1, LEURS PROCÉDÉS DE SYNTHÈSE ET LES COMPOSITIONS PHARMACEUTIQUES LES INCLUANT
  申请人：DOMAINEX LTD

  公开号：WO2012010826A1

  公开（公告）日：2012-01-26

  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 ΙΚΚε and/or TBK-1 : in which: R1 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; R2 represents a phenyl or heteroaryl group which is optionally substituted by one or more substituents defined in the Specification; and each of R3 and R4 independently represents a hydrogen atom or a C1-4 alkyl group.

  通用式（I）的化合物和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中是有用的：其中：R1代表具有4、5、6或7个环原子的脂肪杂环基团，通过一个环氮原子与式I中所示的苯基结合，并且可以选择性地由规范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团，可以选择性地由规范中定义的一个或多个取代基取代；每个R3和R4独立地表示一个氢原子或一个C1-4烷基基团。
• 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。
• US8962609B2
  申请人：——

  公开号：US8962609B2

  公开（公告）日：2015-02-24
• 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：US08962609B2

  公开（公告）日：2015-02-24

  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: R1 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; R2 represents a phenyl or heteroaryl group which is optionally substituted by one or more substituents defined in the Specification; and each of R3 and R4 independently represents a hydrogen atom or a C1-4 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中很有用：其中：R1代表通过环氮原子与公式I中所示的苯基结合的具有4、5、6或7个环原子的脂肪族杂环基，并且可以选择地被定义在规范中的一个或多个取代基取代；R2代表一个苯基或杂环基，可以选择地被定义在规范中的一个或多个取代基取代；R3和R4中的每一个独立地代表氢原子或C1-4烷基。