3-{2-[4-(4-hydroxy-4-(pyrrolidin-1-ylmethyl)-piperidin-1-ylsulphonyl)-phenylamino]-pyrimidin-4-yl}-benzonitrile | 1049105-08-9

• 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: 3-{2-[4-(4-hydroxy-4-(pyrrolidin-1-ylmethyl)-piperidin-1-ylsulphonyl)-phenylamino]-pyrimidin-4-yl}-benzonitrile
• 英文别名: 3-[2-[4-[4-Hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonylanilino]pyrimidin-4-yl]benzonitrile
• CAS: 1049105-08-9
• 化学式: C₂₇H₃₀N₆O₃S
• 分子量: 518.64
• InChiKey: GFBLPVJMHJCHIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON<br/>[FR] COMPOSÉS D'AMINO-PYRIMIDINE EN TANT QU'INHIBITEURS DE TBKL ET OU D'IKK EPSILON
  申请人：MYREXIS INC

  公开号：WO2011046970A1

  公开（公告）日：2011-04-21

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  这项发明涉及抑制TBK1和/或IKK epsilon的某些氨基嘧啶化合物，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）中找到应用。
• NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS
  申请人：BOUABOULA Monsif

  公开号：US20100069417A1

  公开（公告）日：2010-03-18

  The disclosure relates to a compound of formula (I): wherein R, R2, R3, R4, R5, Z, W and D are as defined in the specification, to compositions containing them, to processes for preparing them, and to their use in the treatment or prevention of conditions capable of being modulated by the inhibition of the activity of protein kinases.

  本公开涉及一种式(I)的化合物：其中R、R2、R3、R4、R5、Z、W和D的定义如规范中所述，以及包含它们的组合物、制备它们的过程，以及它们在治疗或预防能够通过抑制蛋白激酶活性而调节的疾病中的应用。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1
  申请人：HOLCOMB Ryan C.

  公开号：US20120238540A1

  公开（公告）日：2012-09-20

  The invention relates to certain amino-pyrimidine compounds that inhibit IKK epsilon and/or TBK1, methods of making such compounds, pharmaceutical compositions comprising such compounds, and the use of these compounds in treating a variety of diseases and disorders.

  本发明涉及一些氨基嘧啶化合物，可抑制IKK epsilon和/或TBK1，制备这种化合物的方法，包含这种化合物的药物组合物，以及在治疗各种疾病和疾病失调中使用这些化合物的方法。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON
  申请人：Alzheimer's Institute of America

  公开号：US20150352108A1

  公开（公告）日：2015-12-10

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  该发明涉及某些氨基嘧啶化合物，其抑制TBK1和/或IKK epsilon，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）方面找到应用。
• AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON
  申请人：Myrexis, Inc.

  公开号：EP2488503A1

  公开（公告）日：2012-08-22