[4-[4-(三氟甲基)苯基]苯基]甲胺盐酸盐 | 412950-48-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [4-[4-(三氟甲基)苯基]苯基]甲胺盐酸盐
• 英文名称: (4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methanamine hydrochloride
• 英文别名: (4-[4-(Trifluoromethyl)phenyl]phenyl)methylamine hydrochloride；[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
• CAS: 412950-48-2
• 化学式: C₁₄H₁₂F₃N*ClH
• 分子量: 287.712
• InChiKey: BKFRPUDGODEFCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.25
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-[4-(三氟甲基)苯基]苯基]甲胺盐酸盐 、 3-吡啶-2-基丙-2-烯酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(pyrid-2-yl)-N-(4'-trifluoromethylbiphen-4-ylmethyl)prop-2-enoic acid amide
  参考文献：
  名称：

  [EN] (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2003087088A3
• 作为产物：
  描述：

  1-(2-甲氧基乙基)哌啶-4-酮 以91的产率得到[4-[4-(三氟甲基)苯基]苯基]甲胺盐酸盐
  参考文献：
  名称：

  Pyridinone derivatives for treatment of atherosclerosis

  摘要：

  式(I)的化合物是Lp-PLA2酶的抑制剂，可用于治疗，特别是治疗动脉粥样硬化。

  公开号：

  US07235566B2

文献信息

• DERIVATIVE COMPOUND INTRODUCING BIPHENYL GROUP INTO NOVEL AMINOALKANOIC ACID AND ANTIFUNGAL PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：Amtixbio Co., Ltd.

  公开号：EP3992177A1

  公开（公告）日：2022-05-04

  The present invention relates to a derivative compound in which a biphenyl group is introduced into an aminoalkanoic acid, a stereoisomer thereof, or a pharmaceutically acceptable salt thereof. The compound of the present invention exhibits excellent antifungal and fungicidal effects. Furthermore, the compound of the present invention exhibits a synergistic effect when used in combination with a conventional antifungal agent. Furthermore, the compound of the present invention provides broad-spectrum antifungal activity against a wide range of fungal pathogens. Therefore, the compound of the present invention may be widely used in fields requiring treatment with antifungal or fungicidal agents against human pathogenic fungi and animal pathogenic fungi, and phytopathogenic fungi.

  本发明涉及一种衍生化合物，其中将联苯基引入氨基烷酸、其立体异构体或其药学上可接受的盐中。本发明的化合物表现出优异的抗真菌和杀真菌效果。此外，本发明的化合物在与传统抗真菌药物联合使用时表现出协同作用。此外，本发明的化合物对广泛的真菌病原体提供广谱抗真菌活性。因此，本发明的化合物可以广泛用于需要抗真菌或杀真菌剂治疗人类病原真菌、动物病原真菌和植物病原真菌的领域。
• N-substituted pyridinone and pyrimidinone derivatives for use as lp-pla2 inhibitors in the treatment of artherosclerosis
  申请人：Leach Andrew Colin

  公开号：US20050245552A1

  公开（公告）日：2005-11-03

  Compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in therapy, in particular for treating atherosclerosis. In Formula I R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X and Y.

  式(I)的化合物是Lp-PLA2酶的抑制剂，并且在治疗中有用，特别是用于治疗动脉粥样硬化。在公式I中，R1，R2，R3，R4，R5，R6，X和Y。
• Synthesis and Evaluation of Functionalized Aryl and Biaryl Isothiocyanates against Human MCF‐7 Cells
  作者：Claire C. Fanta、Kaitlyn J. Tlusty、Sarah E. Pauley、Amanda L. Johnson、Genevieve A. Benjamin、Taylor K. Yseth、Michaela M. Bunde、Paul T. Pierce、Shirley Wang、Peter F. Vitiello、Jared R. Mays

  DOI：10.1002/cmdc.202200250

  日期：2022.7.19

  properties of isothiocyanate 160 against MCF-7 cells after 24 h and 72 h incubation are shown. The plots depict data acquired via antiproliferation and ARE-induction assays; the area below ARE-induction data is shaded to improve clarity (t=24 h, light gray). The results of this study led to the identification of several key structure-activity relationships, as well as lead isothiocyanates demonstrating

  显示了孵育 24 小时和 72 小时后异硫氰酸酯160对 MCF-7 细胞的剂量反应抗癌特性。这些图描绘了通过抗增殖和 ARE 诱导测定获得的数据；ARE 感应数据下方的区域带有阴影以提高清晰度（t=24 小时，浅灰色）。这项研究的结果确定了几种关键的结构-活性关系，以及异硫氰酸铅表现出有效的抗增殖特性。
• N-SUBSTITUTED PYRIDINONE AND PYRIMIDINONE DERIVATIVES FOR USE AS LP-PLA2 INHIBITORS IN THE TREATMENT OF ARTHEROSCLEROSIS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1492533A1

  公开（公告）日：2005-01-05
• (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：GLAXO GROUP LIMITED

  公开号：EP1492787A2

  公开（公告）日：2005-01-05