2-bromo-1-(3-fluoropyridin-4-yl)ethanone | 845714-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3-fluoropyridin-4-yl)ethanone
• 英文别名: 2-Bromo-1-(3-fluoro-4-pyridinyl)ethanone
• CAS: 845714-10-5
• 化学式: C₇H₅BrFNO
• 分子量: 218.025
• InChiKey: CEHIFHQKUBKPGA-UHFFFAOYSA-N

物化性质

• 沸点：
  255℃
• 密度：
  1.656
• 闪点：
  108℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3-fluoropyridin-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 6.0h， 生成 7-{[(2S,5R)-5-[(benzyloxy)methyl]-1,4-dioxan-2-yl]methyl}-2-(3-fluoropyridin-4-yl)-3-iodo-1H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
  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：

  3-氟-N-甲氧基-N-甲基异烟酰胺 在 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 2-bromo-1-(3-fluoropyridin-4-yl)ethanone
  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

文献信息

• [EN] ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS<br/>[FR] PYRROLES CONDENSÉS ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE CRAC
  申请人：GRUENENTHAL GMBH

  公开号：WO2015022073A1

  公开（公告）日：2015-02-19

  The invention relates to substituted bicyclic pyrroloheterocyclyl compounds of general formula (I), wherein A1 and A2 represent direct bond or C(=O), with the proviso that 0 or 1 of A1 and A2 represents C(=O); m and n independently denote 0, 1, 2 or 3, with the proviso that the sum [n + m] is 1, 2, 3 or 4; R1 denotes H, F, CI, Br, I, CN, CF3, CF2H, CFH2, CO2H, CO2R13, R13, OH. O-R13, NH2, N(H)R13, N(R13)2, R2 represents 0 to 4 substituents, each independently selected from F, CI, Br, CN. CF3, CF2H, CFH2, R13, OH, O-R13, NH2, N(H)R13 and N(R13)2; Ar1 represents phenyl or 5- or 6-membered heteroaryl, in each case unsubstituted or substituted with one, two, three or four substituents, independently selected from F, CI, Br, CN, CF3. CF2H, CFH2, R13 and O- R13; or C3-6-cycloalkyl or 3 to 7 membered heterocycloalkyl, in each case unsubstituted or mono- or polysubstituted; Ar2 represents phenyl or 5- or 6-membered heteroaryl, wherein said phenyl or said heteroaryl may be unsubstituted or mono- or polysubstituted and may be condensed with a 4-, 5-, 6-or 7- membered ring, being carbocyclic or heterocyclic, wherein said condensed ring may be saturated, partially unsaturated or aromatic and may be unsubstituted or mono- or polysubstituted; useful as ICRAC inhibitors, to pharmaceutical compositions containing these compounds and to these compounds for the use in the treatment and/or prophylaxis of diseases and/or disorders, in particular inflammatory diseases and/or inflammatory disorders.

  该发明涉及通式(I)的取代双环吡咯杂环基化合物，其中A1和A2代表直接键或C(=O)，但A1和A2中的0或1个代表C(=O)；m和n独立地表示0、1、2或3，但要求总和[n + m]为1、2、3或4；R1代表H、F、CI、Br、I、CN、CF3、CF2H、CFH2、CO2H、CO2R13、R13、OH、O-R13、NH2、N(H)R13、N(R13)2；R2表示0到4个取代基，每个独立地选自F、CI、Br、CN、 、CF2H、CFH2、R13、OH、O-R13、NH2、N(H)R13和N(R13)2；Ar1表示苯基或5-或6-成员杂芳基，每种情况下未取代或取代为一个、两个、三个或四个取代基，独立地选自F、CI、Br、CN、 、CF2H、CFH2、R13和O-R13；或C3-6-环烷基或3到7-成员杂环烷基，每种情况下未取代或单取代或多取代；Ar2表示苯基或5-或6-成员杂芳基，其中所述苯基或所述杂芳基可以未取代或单取代或多取代，并且可以与4-、5-、6-或7-成员环融合，为碳环或杂环，所述融合环可以饱和、部分不饱和或芳香，并且可以未取代或单取代或多取代；用作ICRAC抑制剂，用于含有这些化合物的药物组合物，以及用于治疗和/或预防疾病和/或疾病，特别是炎症性疾病和/或炎症性疾病的这些化合物。
• 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：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。
• ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS
  申请人：Grünenthal GmbH

  公开号：US20160151337A1

  公开（公告）日：2016-06-02

  The invention relates to substituted bicyclic pyrroloheterocyclyl compounds useful as ICRAC inhibitors, to pharmaceutical compositions containing these compounds and to these compounds for the use in the treatment and/or prophylaxis of diseases and/or disorders, in particular inflammatory diseases and/or inflammatory disorders.

  本发明涉及用于ICRAC抑制剂的取代双环吡咯杂环基化合物，以及含有这些化合物的制药组合物和这些化合物用于治疗和/或预防疾病和/或疾病，特别是炎症性疾病和/或炎症性疾病的用途。
• PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS
  申请人：Nerviano Medical Sciences S.r.l.

  公开号：EP2004623A1

  公开（公告）日：2008-12-24