2-hydroxy-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzonitrile | 1056634-86-6

• 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: 2-hydroxy-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzonitrile
• 英文别名: 2-hydroxy-5-[2-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-benzonitrile；2-hydroxy-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
• CAS: 1056634-86-6
• 化学式: C₂₁H₁₉N₅O₂
• 分子量: 373.414
• InChiKey: GBHLNZCFYHLBJP-UHFFFAOYSA-N

物化性质

• 沸点：
  656.7±65.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  94.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate 在 四(三苯基膦)钯 水 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 乙腈 为溶剂， 反应 68.0h， 生成 2-hydroxy-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzonitrile
  参考文献：
  名称：

  [EN] AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON
  [FR] COMPOSÉS D'AMINO-PYRIMIDINE EN TANT QU'INHIBITEURS DE TBKL ET OU D'IKK EPSILON

  摘要：

  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。

  公开号：

  WO2011046970A1

文献信息

• PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF
  申请人：Burns Christopher John

  公开号：US20100197671A1

  公开（公告）日：2010-08-05

  The present invention relates to phenyl amino pyrimidine compounds which are inhibitors of protein kinases including JAK kinases. In particular the compounds are selective for JAK2 kinases. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.

  本发明涉及苯基氨基嘧啶化合物，它们是蛋白激酶抑制剂，包括JAK激酶。特别是，这些化合物对JAK2激酶具有选择性。这些激酶抑制剂可用于治疗与激酶相关的疾病，如免疫和炎症性疾病，包括器官移植；增生性疾病，包括癌症和骨髓增生性疾病；病毒性疾病；代谢性疾病；以及血管性疾病。
• 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
• Phenyl Amino Pyrimidine Compounds and Uses Thereof
  申请人：Sierra Oncology, Inc.

  公开号：US20220388967A1

  公开（公告）日：2022-12-08

  The present invention relates to phenyl amino pyrimidine compounds which are inhibitors of protein kinases including JAK kinases. In particular the compounds are selective for JAK2 kinases. The kinase inhibitors can be used in the treatment of kinase associated diseases such as immunological and inflammatory diseases including organ transplants; hyperproliferative diseases including cancer and myeloproliferative diseases; viral diseases; metabolic diseases; and vascular diseases.