1-(2-bromo-6-fluoro-phenyl)-2-methyl-propan-1-one | 693285-70-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-bromo-6-fluoro-phenyl)-2-methyl-propan-1-one
• 英文别名: 1-(2-Bromo-6-fluorophenyl)-2-methylpropan-1-one
• CAS: 693285-70-0
• 化学式: C₁₀H₁₀BrFO
• 分子量: 245.091
• InChiKey: IFKLOOPYBKVCLO-UHFFFAOYSA-N

物化性质

• 沸点：
  272.3±25.0 °C(Predicted)
• 密度：
  1.402±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-bromo-6-fluoro-phenyl)-2-methyl-propan-1-one 在 肼 作用下， 以 乙二醇 为溶剂， 反应 16.0h， 生成 4-溴-3-异丙基-1H-吲唑
  参考文献：
  名称：

  [EN] 1-ARYL-4-SUBSTITUTED ISOQUINOLINES
  [FR] ISOQUINOLINES 1-ARYL-4-SUBSTITUEES

  摘要：

  提供了Formula (I)和Formula (II)的1-芳基-4-取代异喹啉类似物，具体如下：其中R1、R2、R3、R8、R9、A和Ar在此处定义。这些化合物是C5a受体的配体。Formula (I)和(II)的优选化合物与C5a受体结合亲和力高，并在C5a受体上表现为中性拮抗剂或逆向激动剂活性。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的1-芳基-4-取代异喹啉，可用作C5a受体的定位探针。

  公开号：

  WO2005110991A1
• 作为产物：
  描述：

  1-(2-Bromo-6-fluorophenyl)-2-methylpropan-1-ol 在 草酰氯 、 二甲基亚砜 作用下， 生成 1-(2-bromo-6-fluoro-phenyl)-2-methyl-propan-1-one
  参考文献：
  名称：

  [EN] 1-ARYL-4-SUBSTITUTED ISOQUINOLINES
  [FR] ISOQUINOLINES 1-ARYL-4-SUBSTITUEES

  摘要：

  提供了Formula (I)和Formula (II)的1-芳基-4-取代异喹啉类似物，具体如下：其中R1、R2、R3、R8、R9、A和Ar在此处定义。这些化合物是C5a受体的配体。Formula (I)和(II)的优选化合物与C5a受体结合亲和力高，并在C5a受体上表现为中性拮抗剂或逆向激动剂活性。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的1-芳基-4-取代异喹啉，可用作C5a受体的定位探针。

  公开号：

  WO2005110991A1

文献信息

• [EN] 1-ARYL-4-SUBSTITUTED ISOQUINOLINES<br/>[FR] ISOQUINOLINES 1-ARYL-4-SUBSTITUEES
  申请人：NEUROGEN CORP

  公开号：WO2005110991A1

  公开（公告）日：2005-11-24

  1-Aryl-4-substituted isoquinolines analogues of Formula (I) and Formula (II) are provided, as follows : wherein R1, R2, R3, R8, R9, A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula (I) and (II) bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 1-aryl-4-substituted isoquinolines, which are useful as probes for the localization of C5a receptors.

  提供了Formula (I)和Formula (II)的1-芳基-4-取代异喹啉类似物，具体如下：其中R1、R2、R3、R8、R9、A和Ar在此处定义。这些化合物是C5a受体的配体。Formula (I)和(II)的优选化合物与C5a受体结合亲和力高，并在C5a受体上表现为中性拮抗剂或逆向激动剂活性。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的1-芳基-4-取代异喹啉，可用作C5a受体的定位探针。
• 4,5-Disubstituted-2-aryl pyrimidines
  申请人：Maynard D. George

  公开号：US20050277654A1

  公开（公告）日：2005-12-15

  4,5-disubstituted-2-arylpyrimidines of Formula I and Formula II are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I and II bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 4,5-disubstituted-2-arylpyrimidines, which are useful as probes for the localization of C5a receptors.

  提供公式I和公式II的4,5-二取代-2-芳基嘧啶，其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。公式I和II的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含此类化合物的制药组合物，以及使用此类化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的4,5-二取代-2-芳基嘧啶，用于定位C5a受体。
• 3-substituted-6-aryl pyridines
  申请人：Neurogen Corporation

  公开号：US20040158067A1

  公开（公告）日：2004-08-12

  3-substituted-6-aryl pyridines of Formula I are provided: 1 wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptor. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物： 其中，R1、R2、R3、R8、R9、A和Ar的定义如下。这些化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂的活性。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明还提供了标记的3-取代-6-芳基吡啶化合物，可用作C5a受体定位的探针。
• 1-aryl-4-substituted isoquinolines
  申请人：Lee Kyungae

  公开号：US20070249665A1

  公开（公告）日：2007-10-25

  1-aryl-4-substituted isoquinoline or 1-aryl-3,4-disubstituted isoquinoline analogues of Formula I and Formula II, as follows: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5 a receptors. Preferred compounds of Formula I and II bind to C5 a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5 a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 1-aryl-4-substituted isoquinolines or 1-aryl-3,4-disubstituted isoquinolines, which are useful as probes for the localization of C5 a receptors.

  以下为翻译结果： 本发明提供了公式I和公式II的1-芳基-4-取代异喹啉或1-芳基-3,4-二取代异喹啉类似物，其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。公式I和II的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物治疗多种炎症、心血管和免疫系统疾病的用途。此外，本发明还提供了标记的1-芳基-4-取代异喹啉或1-芳基-3,4-二取代异喹啉，可用作定位C5a受体的探针。
• 3-SUBSTITUTED-6-ARYL PYRIDINES
  申请人：Hutchinson Alan J.

  公开号：US20110281837A1

  公开（公告）日：2011-11-17

  3-substituted-6-aryl pyridines of Formula I are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物：其中R1、R2、R3、R8、R9、A和Ar的定义在此处。这些化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合到C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的制药组合物，以及将这些化合物用于治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体定位的探针。