N-(7-methoxy-4-phenylbenzofuran-2-yl)-N-(phenylcarbamoyl)acetamide | 1217362-14-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: N-(7-methoxy-4-phenylbenzofuran-2-yl)-N-(phenylcarbamoyl)acetamide
• CAS: 1217362-14-5
• 化学式: C₂₄H₂₀N₂O₄
• 分子量: 400.434
• InChiKey: CGQMTWIPWVSOHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  71.78
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(7-methoxy-4-phenylbenzofuran-2-yl)-N-(phenylcarbamoyl)acetamide 在 苯胺 作用下， 以 甲苯 为溶剂， 生成 N-(7-methoxy-4-phenylbenzofuran-2-yl)acetamide
  参考文献：
  名称：

  Synthetic studies on selective adenosine A2A receptor antagonists: Synthesis and structure–activity relationships of novel benzofuran derivatives

  摘要：

  A series of benzofuran derivatives were prepared to study their antagonistic activities to the A(2A) receptor. Replacement of the ester group of the lead compound 1 with phenyl ring improved the PK profile, while modi. cations of the amide moiety showed enhanced antagonistic activity. From these studies, compounds 13c, 13f, and 24a showed good potency in vitro and were identified as novel A(2A) receptor antagonists suitable for oral activity evaluation in animal models of catalepsy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.028
• 作为产物：
  描述：

  碘苯二乙酸 、 7-methoxy-N',4-diphenylbenzofuran-2-carboximidamide 以 甲苯 为溶剂， 生成 N-(7-methoxy-4-phenylbenzofuran-2-yl)-N-(phenylcarbamoyl)acetamide
  参考文献：
  名称：

  Synthetic studies on selective adenosine A2A receptor antagonists: Synthesis and structure–activity relationships of novel benzofuran derivatives

  摘要：

  A series of benzofuran derivatives were prepared to study their antagonistic activities to the A(2A) receptor. Replacement of the ester group of the lead compound 1 with phenyl ring improved the PK profile, while modi. cations of the amide moiety showed enhanced antagonistic activity. From these studies, compounds 13c, 13f, and 24a showed good potency in vitro and were identified as novel A(2A) receptor antagonists suitable for oral activity evaluation in animal models of catalepsy. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.028