2-bromo-1-[2-(methylsulfanyl)pyrimidin-4-yl]ethanone | 496913-69-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-bromo-1-[2-(methylsulfanyl)pyrimidin-4-yl]ethanone
• 英文别名: 2-bromo-1-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one；2-Bromo-1-(2-(methylthio)pyrimidin-4-yl)ethanone；2-bromo-1-(2-methylsulfanylpyrimidin-4-yl)ethanone
• CAS: 496913-69-0
• 化学式: C₇H₇BrN₂OS
• 分子量: 247.115
• InChiKey: QNXFBDOTMBKGBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-bromo-1-[2-(methylsulfanyl)pyrimidin-4-yl]ethanone 在 N-碘代丁二酰亚胺 、 ammonium acetate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 tert-butyl 3'-iodo-2'-[2-(methylsulfanyl)pyrimidin-4-yl]-4'-oxo-5',6'-dihydro-1'H-spiro[piperidine-4,7'-pyrrolo[3,2-c]pyridine]-1-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER
  [FR] MÉTHODES DE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2022076831A3
• 作为产物：
  描述：

  2-甲硫基-4-氯嘧啶 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 作用下， 以 四氢呋喃 、 水 、 甲苯 为溶剂， 反应 1.0h， 生成 2-bromo-1-[2-(methylsulfanyl)pyrimidin-4-yl]ethanone
  参考文献：
  名称：

  EP3885346

  摘要：

  公开号：

文献信息

• Tyrosine kinase inhibitors
  申请人：——

  公开号：US20040181066A1

  公开（公告）日：2004-09-16

  The present invention relates to compounds which inhibit, regulate and/or modulate tyrosine kinase signal transduction, compositions which contain these compounds, and methods of using them to treat tyrosine kinase-dependent diseases and conditions, such as angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals.

  本发明涉及抑制、调节和/或调节酪氨酸激酶信号转导的化合物、包含这些化合物的组合物以及使用它们治疗哺乳动物中酪氨酸激酶依赖性疾病和病状的方法，例如血管生成、癌症、肿瘤生长、动脉粥样硬化、老年性黄斑变性、糖尿病视网膜病变、炎症性疾病等。
• PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS
  申请人：Vanotti Ermes

  公开号：US20090099221A1

  公开（公告）日：2009-04-16

  The present invention provides compounds of the formula (I), or the pharmaceutically acceptable salts thereof, wherein G, W, R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the specification. Further objects of the invention are processes and intermediates for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer

  本发明提供公式（I）的化合物或其药学上可接受的盐，其中G、W、R2、R3、R4、R5和R6如规范中所定义。本发明的进一步目的是制备公式（I）化合物的过程和中间体，包括它们的制药组合物以及治疗细胞增殖性疾病的方法。事实上，公式（I）的化合物在治疗与蛋白激酶活性不规则相关的疾病，如癌症方面具有用途。
• Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors
  申请人：Nerviano Medical Sciences S.R.L.

  公开号：US08263604B2

  公开（公告）日：2012-09-11

  The present invention provides compounds of the formula (I), or the pharmaceutically acceptable salts thereof, wherein G, W, R2, R3, R4, R5 and R6 are as defined in the specification. Further objects of the invention are processes and intermediates for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中G、W、R2、R3、R4、R5和R6如说明书中所定义。本发明的进一步对象是制备式（I）化合物的过程和中间体、包含它们的制药组合物以及治疗细胞增殖性疾病的方法。事实上，式（I）的化合物在治疗与蛋白激酶活性失调相关的疾病，如癌症方面是有用的。
• PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS
  申请人：NERVIANO MEDICAL SCIENCES S.R.L.

  公开号：US20150051237A1

  公开（公告）日：2015-02-19

  The present invention provides compounds of the formula (I), or the pharmaceutically acceptable salts thereof, wherein G, W, R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the specification. Further objects of the invention are processes and intermediates for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中G、W、R2、R3、R4、R5和R6如规范中所定义。本发明的进一步目的是制备式（I）的化合物的方法和中间体，包括它们的制药组合物和治疗细胞增殖性疾病的方法。事实上，式（I）的化合物在治疗与蛋白激酶活性失调相关的疾病，如癌症中是有用的。
• Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furane-derivatives as kinase inhibitors
  申请人：Vanotti Ermes

  公开号：US08906934B2

  公开（公告）日：2014-12-09

  The present invention provides compounds of the formula (I), or the pharmaceutically acceptable salts thereof, wherein G, W, R2, R3, R4, R5 and R6 are as defined in the specification. Further objects of the invention are processes and intermediates for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明提供式(I)的化合物或其药学上可接受的盐，其中G、W、R2、R3、R4、R5和R6如规范中所定义。本发明的进一步目的是制备式(I)的化合物的过程和中间体，包括它们的制药组合物和治疗细胞增殖性疾病的方法。事实上，式(I)的化合物在治疗与蛋白激酶活性失调相关的疾病，如癌症中是有用的。