3,3-二甲基-1-(2-硝基-4-(三氟甲基)苯基)氮杂啶-2-酮 | 861881-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 中文名称: 3,3-二甲基-1-(2-硝基-4-(三氟甲基)苯基)氮杂啶-2-酮
• 英文名称: 3,3-Dimethyl-1-(2-nitro-4-(trifluoromethyl)phenyl)azetidin-2-one
• 英文别名: 3,3-dimethyl-1-[2-nitro-4-(trifluoromethyl)phenyl]azetidin-2-one
• CAS: 861881-16-5
• 化学式: C₁₂H₁₁F₃N₂O₃
• 分子量: 288.226
• InChiKey: HBYVRAUVTHVMPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3-二甲基-1-(2-硝基-4-(三氟甲基)苯基)氮杂啶-2-酮 在 钯 作用下， 以 甲醇 为溶剂， 以to afford 1-(2-amino-4-(trifluoromethyl)phenyl-3,3-dimethylazetidin-2-one, which的产率得到1-(2-amino-4-(trifluoromethyl)phenyl)-3,3-dimethylazetidin-2-one
  参考文献：
  名称：

  Compounds and methods of use

  摘要：

  选定的化合物对于预防和治疗疾病，如HGF介导的疾病具有有效性。该发明包括新颖的化合物、类似物、前药和其药学上可接受的盐、药物组合物以及用于预防和治疗涉及癌症等疾病和其他疾病或病况的方法。该发明还涉及制备这样的化合物的过程以及在这样的过程中有用的中间体。

  公开号：

  US07435823B2
• 作为产物：
  描述：

  氯代特戊酰氯 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 96.0h， 生成 3,3-二甲基-1-(2-硝基-4-(三氟甲基)苯基)氮杂啶-2-酮
  参考文献：
  名称：

  Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck:  Synthesis, SAR, and in Vivo Anti-Inflammatory Activity

  摘要：

  The lymphocyte-specific kinase (Lck) is a cytoplasmic tyrosine kinase of the Src family expressed in T cells and natural killer (NK) cells. Genetic evidence in both mice and humans demonstrates that Lck kinase activity is critical for signaling mediated by the T cell receptor (TCR), which leads to normal T cell development and activation. Selective inhibition of Lck is expected to offer a new therapy for the treatment of T-cell-mediated autoimmune and inflammatory disease. Screening of our kinase-preferred collection identified aminoquinazoline 1 as a potent, nonselective inhibitor of Lck and T cell proliferation. In this report, we describe the synthesis and structure-activity relationships of a series of novel aminoquinazolines possessing in vitro mechanism-based potency. Optimized, orally bioavailable compounds 32 and 47 exhibit anti-inflammatory activity (ED50 of 22 and 11 mg/kg, respectively) in the anti-CD3-induced production of interleukin-2 (IL-2) in mice.

  DOI：

  10.1021/jm0605482

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。
• Compounds and methods of use
  申请人：Potashman Michele

  公开号：US20060241115A1

  公开（公告）日：2006-10-26

  Selected compounds are effective for prophylaxis and treatment of diseases, such as HGF mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  所选化合物对于预防和治疗HGF介导的疾病等具有有效性。本发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的盐，以及用于预防和治疗涉及癌症等疾病和其他疾病或状况的药物组合物和方法。该发明还涉及制备此类化合物的过程，以及在此类过程中有用的中间体。
• COMPOUNDS AND METHODS OF USE
  申请人：AMGEN INC.

  公开号：EP1713484A2

  公开（公告）日：2006-10-25
• 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
• US7435823B2
  申请人：——

  公开号：US7435823B2

  公开（公告）日：2008-10-14