N-(3-nitro-4-fluorophenyl)-3-(trifluoromethyl)benzamide | 710310-06-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-nitro-4-fluorophenyl)-3-(trifluoromethyl)benzamide
• 英文别名: N-(4-fluoro-3-nitro-phenyl)-3-trifluoromethyl-benzamide；N-(4-fluoro-3-nitrophenyl)-3-(trifluoromethyl)benzamide
• CAS: 710310-06-8
• 化学式: C₁₄H₈F₄N₂O₃
• 分子量: 328.223
• InChiKey: IFEDTXJNFZIHEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(3-nitro-4-fluorophenyl)-3-(trifluoromethyl)benzamide 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 乙醇 、 甲苯 为溶剂， 生成 N-(3-(2-amino-3-cyano-1H-pyrrolo [2,3-b] quinoxalin-1-yl)-4-fluorophenyl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Pyrrolo[3,2-b]quinoxaline Derivatives as Types I_1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation

  摘要：

  The X-ray crystal structures of the catalytic domain of the EphA3 tyrosine kinase in complex with two type I inhibitors previously discovered in silico (compounds A and B) were used to design type I-1/2 and II inhibitors. Chemical synthesis of about 25 derivatives culminated in the discovery of compounds 11d (type I-1/2), 7b, and 7g (both of type II), which have low-nanomolar affinity for Eph kinases in vitro and a good selectivity profile on a panel of 453 human kinases (395 nonmutant). Surface plasmon resonance measurements show a very slow unbinding rate (1/115 min) for inhibitor 7m. Slow dissociation is consistent with a type II binding mode in which the hydrophobic moiety (trifluoromethyl-benzene) of the inhibitor is deeply buried in a cavity originating from the displacement of the Phe side chain of the so-called DFG motif as observed in the crystal structure of compound 7m. The inhibitor 11d displayed good in vivo efficacy in a human breast cancer xenograft.

  DOI：

  10.1021/jm5009242
• 作为产物：
  描述：

  4-氟-3-硝基苯胺 、 3-(三氟甲基)苯甲酰氯 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以97%的产率得到N-(3-nitro-4-fluorophenyl)-3-(trifluoromethyl)benzamide
  参考文献：
  名称：

  WO2007/76034

  摘要：

  公开号：

文献信息

• 2-Amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide derivates
  申请人：Universität Zürich

  公开号：EP2924039A1

  公开（公告）日：2015-09-30

  The invention relates to compound characterized by a general formula (1), wherein n of R1n is 0, 1, 2, 3 or 4, in particular n of R1n is 0 or 1, and each R1 independently from any other R1 is C1-C3 alkyl, C1-C3 haloalkyl or C1-C3 alkoxy, and DA is a Donor-Acceptor group. The invention relates further to a compound or a pharmaceutical preparation for use in a method for treatment of cancer or intraocular neovascular syndromes.

  该发明涉及一种具有一般式(1)的化合物，其中R1n的n为0、1、2、3或4，特别是R1n的n为0或1，每个R1独立于其他R1，为C1-C3烷基、C1-C3卤代烷基或C1-C3烷氧基，DA为给体-受体基团。该发明还涉及一种化合物或药物制剂，用于治疗癌症或眼内新生血管综合征的方法。
• ANTI-VIRAL COMPOUNDS
  申请人：Betebenner A. David

  公开号：US20070232627A1

  公开（公告）日：2007-10-04

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明公开了一种有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。本发明还涉及包含这些化合物的组合物、这些化合物与其他抗病毒或治疗剂的共同配方或共同管理、用于合成这些化合物的过程和中间体，以及使用这些化合物治疗HCV或其他病毒感染的方法。
• Anti-viral compounds
  申请人：Abbott Laboratories

  公开号：US07910595B2

  公开（公告）日：2011-03-22

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) or other viruses are disclosed. This invention is also directed to compositions comprising such compounds, co-formulation or co-administration of such compounds with other anti-viral or therapeutic agents, processes and intermediates for the syntheses of such compounds, and methods of using such compounds for the treatment of HCV or other viral infections.

  本发明揭示了一些有效抑制丙型肝炎病毒（“HCV”）或其他病毒复制的化合物。本发明还涉及包含这些化合物的组合物，这些化合物与其他抗病毒或治疗剂一起配方或联合使用，用于合成这些化合物的过程和中间体，以及使用这些化合物治疗HCV或其他病毒感染的方法。
• Antiviral compounds
  申请人：Abbott Laboratories

  公开号：EP2345652A1

  公开（公告）日：2011-07-20

  The present invention is directed to the use of compounds effective in inhibiting replication of Hepatitis C virus ("HCV") or other viruses, tautomers of said compounds, or pharmaceutically acceptable salts of said compounds or tautomers, for the manufacture of a medicament for the treatment of HCV.

  本发明涉及使用能有效抑制丙型肝炎病毒（"HCV"）或其他病毒复制的化合物、所述化合物的同系物或所述化合物或同系物的药学上可接受的盐，制造治疗 HCV 的药物。
• WO2007/76034
  申请人：——

  公开号：——

  公开（公告）日：——