1-(4-Tert-butylphenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea | 1238349-08-0

• 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: 1-(4-Tert-butylphenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
• 英文别名: 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenyl)-1-benzofuran-7-yl]urea
• CAS: 1238349-08-0
• 化学式: C₂₈H₃₀N₂O₂
• 分子量: 426.558
• InChiKey: HAECLEXOCQYAGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-[2-(1-methylethyl)phenyl]-1-benzofuran-7-amine 、 4-叔丁基异氰酸苯酯 以 二氯甲烷 为溶剂， 生成 1-(4-Tert-butylphenyl)-3-(2-(2-isopropylphenyl)benzofuran-7-yl)urea
  参考文献：
  名称：

  Benzofuran-substituted urea derivatives as novel P2Y1 receptor antagonists

  摘要：

  Benzofuran-substituted urea analogs have been identified as novel P2Y(1) receptor antagonists. Structure activity relationship studies around the urea and the benzofuran moieties resulted in compounds having improved potency. Several analogs were shown to inhibit ADP-mediated platelet activation. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.072

文献信息

• Benzofuran-substituted urea derivatives as novel P2Y1 receptor antagonists
  作者：Reema K. Thalji、Nambi Aiyar、Elizabeth A. Davenport、Joseph A. Erhardt、Lorena A. Kallal、Dwight M. Morrow、Shobha Senadhi、Cynthia L. Burns-Kurtis、Joseph P. Marino

  DOI：10.1016/j.bmcl.2010.05.072

  日期：2010.7

  Benzofuran-substituted urea analogs have been identified as novel P2Y(1) receptor antagonists. Structure activity relationship studies around the urea and the benzofuran moieties resulted in compounds having improved potency. Several analogs were shown to inhibit ADP-mediated platelet activation. (C) 2010 Elsevier Ltd. All rights reserved.