N-methyl-4'-nitro-3'-(trifluoromethyl)aniline | 52807-22-4

• 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-methyl-4'-nitro-3'-(trifluoromethyl)aniline
• 英文别名: N-methyl-4-nitro-3-(trifluoromethyl)aniline
• CAS: 52807-22-4
• 化学式: C₈H₇F₃N₂O₂
• mdl: MFCD12172422
• 分子量: 220.151
• InChiKey: NXHABQRWZILMSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-methyl-4'-nitro-3'-(trifluoromethyl)aniline 在 sodium hydroxide 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 2-hydroxy-N-methyl-4'-nitro-3'-trifluoromethylisobutyranilide
  参考文献：
  名称：

  Non-steroidal antiandrogens. Design of novel compounds based on an infrared study of the dominant conformation and hydrogen-bonding properties of a series of anilide antiandrogens

  摘要：

  Antiandrogenic activity is observed in anilides containing a tertiary hydroxyl group, and these compounds are used to define a pharmacophore in terms of their physicochemical properties. Infrared spectroscopy shows that these anilides exist in a single conformation, which exerts a powerful influence on the hydrogen-bond donor ability of the hydroxyl group in a model system. Arguments are presented which suggest that hydrogen-bonding ability is an important contributor to biological activity. Compounds were synthesized that reproduced these properties in series not containing an amide bond. Such compounds were found to exhibit good antiandrogen activity. We suggest that quantitative information on hydrogen bonding might also be useful in other systems.

  DOI：

  10.1021/jm00105a067
• 作为产物：
  描述：

  5-氯-2-硝基三氟甲苯 、 甲胺 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 36.0h， 以87%的产率得到N-methyl-4'-nitro-3'-(trifluoromethyl)aniline
  参考文献：
  名称：

  A multi-photoresponsive molecular-hybrid for dual-modal photoinactivation of cancer cells

  摘要：

  一种双色性分子共轭物结合了红色荧光和同时光生单线态氧和一氧化氮，诱导黑色素瘤癌细胞的放大光致细胞死亡。

  DOI：

  10.1039/c4ra08250h

文献信息

• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS D'HISTONE DEACETYLASE
  申请人：METHYLGENE INC

  公开号：WO2005030704A1

  公开（公告）日：2005-04-07

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制组蛋白去乙酰化酶。该发明提供了抑制组蛋白去乙酰化酶酶活性的化合物和方法。该发明还提供了治疗细胞增殖性疾病和症状的组合物和方法。
• [EN] ANTHELMINTIC AGENTS AND THEIR USE<br/>[FR] AGENTS ANTHELMINTHIQUES ET LEUR UTILISATION
  申请人：INTERVET INT BV

  公开号：WO2010146083A1

  公开（公告）日：2010-12-23

  This invention is directed to compounds of the formula (I) and salts therefore that are generally useful as anthelmintic agents or as intermediates in processes for making anthelmintic agents. This invention also is directed to processes for making the compounds of this invention, pharmaceutical compositions and kits comprising the compounds of this invention, uses of the compounds of this invention to make medicaments, and treatments comprising the administration of the compounds of this invention to animals in need of the treatments.

  这项发明涉及通式（I）的化合物及其盐，通常可用作驱虫剂或作为制备驱虫剂的中间体。这项发明还涉及制备这些化合物的方法，包括这些化合物的药物组合物和试剂盒，利用这些化合物制备药物的用途，以及将这些化合物用于给予需要治疗的动物的治疗。
• MORRIS, JEFFREY J.;HUGHES, LESLIE R.;GLEN, ALASDAIR T.;TAYLOR, PETER J., J. MED. CHEM., 34,(1991) N, C. 447-455
  作者：MORRIS, JEFFREY J.、HUGHES, LESLIE R.、GLEN, ALASDAIR T.、TAYLOR, PETER J.

  DOI：——

  日期：——
• EP3331852B1
  申请人：——

  公开号：EP3331852B1

  公开（公告）日：2020-12-23
• US3965176A
  申请人：——

  公开号：US3965176A

  公开（公告）日：1976-06-22