4-(3,4-二甲基苯氧基)苯胺 | 46731-94-6

• 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-(3,4-二甲基苯氧基)苯胺
• 英文名称: 4-(3,4-dimethylphenoxy)phenylamine
• 英文别名: 4-(3,4-dimethyl-phenoxy)-aniline；4-(3,4-Dimethyl-phenoxy)-anilin；4-(3,4-Dimethylphenoxy)aniline
• CAS: 46731-94-6
• 化学式: C₁₄H₁₅NO
• mdl: MFCD00453907
• 分子量: 213.279
• InChiKey: UZSYASHQOZQTII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(3,4-二甲基苯氧基)苯胺 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 24.75h， 生成 3-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists

  摘要：

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

  DOI：

  10.1021/jm0004547
• 作为产物：
  描述：

  3,4-二甲基苯酚 在 10percentPd/C 氢气 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 150.0 ℃ 、137.9 kPa 条件下， 反应 16.0h， 生成 4-(3,4-二甲基苯氧基)苯胺
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists

  摘要：

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

  DOI：

  10.1021/jm0004547

文献信息

• New acetamide derivatives containing (ω-p-bromophenoxyalkyl)uracil moiety and their anticytomegalovirus activity
  作者：Maria P. Paramonova、Robert Snoeck、Graciela Andrei、Anastasia L. Khandazhinskaya、Mikhail S. Novikov

  DOI：10.1016/j.mencom.2020.09.016

  日期：2020.9

  New N-aryl-2-3-[ω-(4-bromophenoxy)alkyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}acetamides have been obtained from 1-[ω-(4-bromophenoxy)alkyl]uracil and 2-chloro-N-(4-phenoxyphenyl)acetamide derivatives. Investigation of their antiviral properties against human cytomegalovirus revealed that the representative with dodecane-1,12-diyl linker exhibited powerful virus inhibitory activity in vitro.

  从1- [ω- （4-溴苯氧基）烷基]尿嘧啶和2-氯-N-（4-苯氧基苯基）乙酰胺衍生物。他们对人类巨细胞病毒的抗病毒特性的调查表明，具有十二烷-1,12-二基接头的代表在体外表现出强大的病毒抑制活性。
• INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS
  申请人：LG LIFE SCIENCES LTD.

  公开号：US20160194313A1

  公开（公告）日：2016-07-07

  The present invention relates to an indole amide compound represented by formula (1), a pharmaceutically acceptable salt or isomer thereof, a composition for prevention or treatment of necrosis and necrosis-associated diseases, and a method for preparing the composition, the composition comprising the indole compound or the pharmaceutically acceptable salt or isomer thereof as an active ingredient.

  本发明涉及一种由式（1）所表示的吲哚酰胺化合物、其药学上可接受的盐或异构体、用于预防或治疗坏死和坏死相关疾病的组合物，以及制备该组合物的方法，该组合物包括吲哚化合物或其药学上可接受的盐或异构体作为活性成分。
• Barry et al., Proceedings of the Royal Irish Academy. Section B: Biological, geological, and chemical science, 1950, vol. 53B, p. 61,69,82
  作者：Barry et al.

  DOI：——

  日期：——
• US9868731B2
  申请人：——

  公开号：US9868731B2

  公开（公告）日：2018-01-16
• Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists
  作者：Christopher Fotsch、Jennifer D. Sonnenberg、Ning Chen、Clarence Hale、William Karbon、Mark H. Norman

  DOI：10.1021/jm0004547

  日期：2001.7.1

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).