N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yl-acetamide | 571196-36-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yl-acetamide
• 英文别名: N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-ylacetamide
• CAS: 571196-36-6
• 化学式: C₂₁H₂₁NO₂
• 分子量: 319.403
• InChiKey: SKFUADMYBNMIQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-萘乙酸 、 2-(4-甲氧苯基)乙胺 在 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以42%的产率得到N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yl-acetamide
  参考文献：
  名称：

  Synthesis of protein tyrosine phosphatase 1B inhibitors: Model validation and docking studies

  摘要：

  The designed and synthesized 2-(4-methoxyphenyl) ethyl] acetamide derivatives (3a, 3b and 3c) were evaluated for their PTP1B inhibitory activity where they showed IC50 values 69 mu M, 87 mu M and 71 mu M, respectively. These results correlated well with the docking studies and in vivo screening of the compounds for their antidiabetic activity in SLM and STZ models. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.058

文献信息

• Synthesis of protein tyrosine phosphatase 1B inhibitors: Model validation and docking studies
  作者：Anil K. Saxena、Gyanendra Pandey、Swati Gupta、Amar Bahadur Singh、Arvind K. Srivastava

  DOI：10.1016/j.bmcl.2009.02.058

  日期：2009.4

  The designed and synthesized 2-(4-methoxyphenyl) ethyl] acetamide derivatives (3a, 3b and 3c) were evaluated for their PTP1B inhibitory activity where they showed IC50 values 69 mu M, 87 mu M and 71 mu M, respectively. These results correlated well with the docking studies and in vivo screening of the compounds for their antidiabetic activity in SLM and STZ models. (c) 2009 Elsevier Ltd. All rights reserved.