N-<1-(4-methoxyphenyl)ethylidene>-2-(trifluoromethyl)aniline | 133671-33-7

• 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-<1-(4-methoxyphenyl)ethylidene>-2-(trifluoromethyl)aniline
• 英文别名: N-[1-(4-methoxyphenyl)ethylidene]-2-(trifluoromethyl)aniline
• CAS: 133671-33-7
• 化学式: C₁₆H₁₄F₃NO
• 分子量: 293.288
• InChiKey: SELLEVWVNJOCAM-RGVLZGJSSA-N

物化性质

• 熔点：
  69-71 °C
• 沸点：
  345.6±42.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-<1-(4-methoxyphenyl)ethylidene>-2-(trifluoromethyl)aniline 、 N,N-二甲基乙二胺 在 正丁基锂 作用下， 生成 N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)quinolin-4-amine
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents

  摘要：

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.

  DOI：

  10.1021/jm00109a031
• 作为产物：
  描述：

  对甲氧基苯乙酮 、 邻氨基三氟甲苯 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 10.0h， 以53%的产率得到N-<1-(4-methoxyphenyl)ethylidene>-2-(trifluoromethyl)aniline
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents

  摘要：

  Thirty-eight 2-(aryl or heteroaryl)quinolin-4-amines, N,N-disubstituted, N-monosubstituted, and without a substituent at the amino group have been synthesized with use of novel chemistries developed by us recently. Some of these derivatives show anti-HIV-1 activity at a concentration level of 1-mu-M and low cell toxicity in vitro. The most active and least toxic compounds are derivatives of 2-(3-pyridyl)quinoline. The results of the quantitative structure-activity relationship analyses, including several classical, linear regression correlations and a Free-Wilson approach, of de novo model, provide guidelines for the design of new active compounds of this class.

  DOI：

  10.1021/jm00109a031

文献信息

• Quinolines derivatives as novel anticancer agents
  申请人：GENOSCIENCE PHARMA

  公开号：US10179770B2

  公开（公告）日：2019-01-15

  The invention provides quinoline derivatives, their manufacture, pharmaceutical compositions containing them, and their use as medicaments. The active compounds of the present invention are useful for the treatment of proliferative neoplastic and non-neoplastic diseases.

  本发明提供了喹啉衍生物、喹啉衍生物的制造、含有喹啉衍生物的药物组合物以及喹啉衍生物作为药物的用途。本发明的活性化合物可用于治疗增殖性肿瘤和非肿瘤疾病。
• STREKOWSKI, LUCJAN;MOKROSZ, JERZY L.;HONKAN, VIDYA A.;CZARNY, AGNIESZKA;C+, J. MED. CHEM., 34,(1991) N, C. 1739-1746
  作者：STREKOWSKI, LUCJAN、MOKROSZ, JERZY L.、HONKAN, VIDYA A.、CZARNY, AGNIESZKA、C+

  DOI：——

  日期：——
• QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS
  申请人：Genoscience Pharma SAS

  公开号：EP2976333B1

  公开（公告）日：2018-08-08
• [EN] QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS<br/>[FR] DÉRIVÉS DE QUINOLINES EN TANT QUE NOUVEAUX AGENTS ANTICANCÉREUX
  申请人：GENOSCIENCE PHARMA

  公开号：WO2014147611A1

  公开（公告）日：2014-09-25

  The invention provides quinoline derivatives, their manufacture, pharmaceutical compositions containing them, and their use as medicaments. The active compounds of the present invention are useful for the treatment of proliferative neoplastic and nonneoplastic diseases.