2-bromo-1-(1-tert-butyl-1H-pyrazol-4-yl)ethanone | 1460286-50-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(1-tert-butyl-1H-pyrazol-4-yl)ethanone
• 英文别名: 2-bromo-1-(1-tert-butyl-1H-pyrazol-4-yl)-ethanone；2-bromo-1-(1-tert-butylpyrazol-4-yl)ethanone
• CAS: 1460286-50-3
• 化学式: C₉H₁₃BrN₂O
• 分子量: 245.119
• InChiKey: JOUKTXLGJGAWQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(1-tert-butyl-1H-pyrazol-4-yl)ethanone 在 potassium tert-butylate 、 ammonium acetate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 3-(1-tert-butyl-1H-pyrazol-4-yl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
  参考文献：
  名称：

  [EN] BICYCLIC PYRAZINONE DERIVATIVES
  [FR] DÉRIVÉS BICYCLIQUES DE PYRAZINONE

  摘要：

  式(I)中R1、X和Y具有权利要求1中指示的含义的化合物是坦克酶的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。

  公开号：

  WO2013143663A1
• 作为产物：
  描述：

  1-(1-tert-butyl-1H-pyrazol-4-yl)ethanone 在 pyridinium hydrobromide perbromide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 2-bromo-1-(1-tert-butyl-1H-pyrazol-4-yl)ethanone
  参考文献：
  名称：

  Syk 억제제

  摘要：

  This text appears to be a scientific or technical document discussing the therapeutic uses of a compound called Syk inhibitor in the treatment of various conditions including cancer and inflammatory diseases. It also mentions the chemical structure of the compound given by the chemical formula I. In the formula, X, X, X, R, R, R, R, and Y are as described in the specification. The document further provides methods for using these compounds and compositions containing compounds or salts thereof of the chemical formula I to treat conditions mediated by Syk.

  公开号：

  KR20160037198A

文献信息

• SYK INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20150038488A1

  公开（公告）日：2015-02-05

  The present disclosure relates to compounds that are Syk inhibitors and to their use in the treatment of various disease states, including cancer and inflammatory conditions. In particular embodiments, the structure of the compounds is given by Formula I wherein X 1 , X 2 , X 3 , R 2 , R 3 , R 4 , R 5 , and Y are as described herein. The present disclosure further provides pharmaceutical compositions that include a compound of Formula I, or pharmaceutically acceptable salts thereof, and methods of using these compounds and compositions to treat conditions mediated by Syk.

  本公开涉及的化合物是Syk抑制剂，并且适用于治疗各种疾病状态，包括癌症和炎症性疾病。在特定实施例中，化合物的结构由公式I给出，其中X1、X2、X3、R2、R3、R4、R5和Y如本文所述。本公开进一步提供了包括公式I的化合物或其药学上可接受的盐的制药组合物，以及使用这些化合物和组合物治疗Syk介导的疾病的方法。
• BICYCLIC PYRAZINONE DERIVATIVES
  申请人：Merck Patent GmbH

  公开号：US20150057264A1

  公开（公告）日：2015-02-26

  Compounds of the formula I in which R 1 , X and Y have the meanings indicated in Claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I中，R1、X和Y的含义如权利要求1所示的化合物是Tankyrase的抑制剂，可以用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• Substituted pyrrolo[1,2-A]pyrazin-1-ones and pyrazolo[1,5-A]pyrazin-4-ones as inhibitors of tankyrase and poly(ADP-ribose)polymerase activity
  申请人：Merck Patent GmbH

  公开号：US09120805B2

  公开（公告）日：2015-09-01

  Compounds of the formula I in which R1, X and Y have the meanings indicated in Claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I中，R1、X和Y具有声明1中所示的含义的化合物是坦克酰酶抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• Syk inhibitors
  申请人：Gilead Sciences, Inc.

  公开号：US10005774B2

  公开（公告）日：2018-06-26

  The present disclosure relates to compounds that are Syk inhibitors and to their use in the treatment of various disease states, including cancer and inflammatory conditions. In particular embodiments, the structure of the compounds is given by Formula I: wherein X1, X2, X3, R2, R3, R4, R5, and Y are as described herein. The present disclosure further provides pharmaceutical compositions that include a compound of Formula I, or pharmaceutically acceptable salts thereof, and methods of using these compounds and compositions to treat conditions mediated by Syk.

  本公开涉及作为 Syk 抑制剂的化合物及其在治疗各种疾病（包括癌症和炎症）中的用途。在特定的实施方案中，化合物的结构如式 I 所示： 其中 X1、X2、X3、R2、R3、R4、R5 和 Y 如本文所述。本公开进一步提供了包括式 I 的化合物或其药学上可接受的盐的药物组合物，以及使用这些化合物和组合物治疗由 Syk 介导的病症的方法。
• US9120805B2
  申请人：——

  公开号：US9120805B2

  公开（公告）日：2015-09-01