4-(2-amino-4-(trifluoromethyl)phenyl)piperazin-2-one | 882672-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(2-amino-4-(trifluoromethyl)phenyl)piperazin-2-one
• 英文别名: 4-[2-Amino-4-(trifluoromethyl)phenyl]piperazin-2-one
• CAS: 882672-41-5
• 化学式: C₁₁H₁₂F₃N₃O
• mdl: MFCD09046843
• 分子量: 259.231
• InChiKey: XCYHDPGKQQVCEL-UHFFFAOYSA-N

物化性质

• 沸点：
  462.9±45.0 °C(Predicted)
• 密度：
  1.364±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  58.4
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为产物：
  描述：

  4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-2-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以0.15 g的产率得到4-(2-amino-4-(trifluoromethyl)phenyl)piperazin-2-one
  参考文献：
  名称：

  UREA DERIVATIVE AND USE THEREFOR

  摘要：

  公开号：

  EP3345893B1

文献信息

• Aryl nitrogen-containing bicyclic compounds and methods of use
  申请人：Patel F. Vinod

  公开号：US20070054916A1

  公开（公告）日：2007-03-08

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , A 3 , B, R 1 , R 2 , R 3 and R 4 are defined herein. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of kinase mediated diseases using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention.

  这项发明涉及一类新的化合物，用于预防和治疗蛋白激酶介导的疾病，包括炎症、癌症和相关疾病。这些化合物具有一般的化学式I，其中A1、A2、A3、B、R1、R2、R3和R4在此有定义。因此，该发明还涉及包括该发明的化合物的药物组合物，使用该发明的化合物和组合物预防和治疗激酶介导的疾病的方法，以及用于制备该发明的化合物的中间体和方法。
• Heteroaryl-substituted alkyne compounds and method of use
  申请人：Chaffee C. Stuart

  公开号：US20060217380A1

  公开（公告）日：2006-09-28

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , A 3 , A 4 , R 1 and R 2 are defined herein. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of kinase mediated diseases using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention.

  本发明涉及一种新型化合物类别，可用于预防和治疗蛋白激酶介导的疾病，包括炎症、癌症和相关病症。该化合物具有一般式I，其中A1、A2、A3、A4、R1和R2如本文所定义。因此，本发明还涉及包含本发明化合物的制药组合物，使用本发明化合物和组合物预防和治疗激酶介导的疾病的方法，以及用于制备本发明化合物的中间体和过程。
• HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE
  申请人：Chaffee Stuart C.

  公开号：US20100160283A1

  公开（公告）日：2010-06-24

  The present invention comprises a new class of compounds useful for the prophylaxis and treatment of protein kinase mediated diseases, including inflammation, cancer and related conditions. The compounds have a general Formula I wherein A 1 , A 2 , A 3 , A 4 , R 1 and R 2 are defined herein. Accordingly, the invention also comprises pharmaceutical compositions comprising the compounds of the invention, methods for the prophylaxis and treatment of kinase mediated diseases using the compounds and compositions of the invention, and intermediates and processes useful for the preparation of compounds of the invention.

  本发明涉及一类新的化合物，用于预防和治疗蛋白激酶介导的疾病，包括炎症、癌症和相关疾病。该化合物具有一般式I，其中A1、A2、A3、A4、R1和R2的定义如本文所述。因此，本发明还涉及包括本发明化合物的制药组合物，使用本发明化合物和组合物预防和治疗激酶介导的疾病的方法，以及用于制备本发明化合物的中间体和过程。
• Urea derivative and use therefor
  申请人：Toray Industries, Inc.

  公开号：US10280145B2

  公开（公告）日：2019-05-07

  A compound has inhibitory activity on Discoidin Domain Receptor 1. A urea derivative is represented by the formula (I) or a pharmaceutically acceptable salt thereof: wherein, R1 is trifluoromethyl, trifluoromethoxy, or pentafluorosulfanyl; each R2 is independently a hydrogen atom or methyl which is optionally substituted by one hydroxyl or one saturated heterocyclyl having four to six ring-forming atoms; R3 is a hydrogen atom, halogen atom, C1-C3 alkyl, saturated heterocyclyl having four to six ring-forming atoms and optionally having an oxo group, or R5O—; and R4 is phenyl, pyridyl, pyridazinyl, or pyrimidinyl, which phenyl, pyridyl, pyridazinyl, or pyrimidinyl is optionally substituted by one R6.

  一种化合物对 Discoidin Domain Receptor 1 具有抑制活性。脲衍生物由式（I）或其药学上可接受的盐表示： 其中，R1 是三氟甲基、三氟甲氧基或五氟硫酰基；每个 R2 独立地是氢原子或甲基，可选择被一个羟基或一个具有四至六个成环原子的饱和杂环基取代；R3 是氢原子、卤素原子、C1-C3 烷基、具有四至六个成环原子且可选具有一个氧代基团的饱和杂环基，或 R5O-；以及 R4 是苯基、吡啶基、哒嗪基或嘧啶基，其中苯基、吡啶基、哒嗪基或嘧啶基可选被一个 R6 取代。
• ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
  申请人：AMGEN INC.

  公开号：EP1836174A2

  公开（公告）日：2007-09-26