(E)-3-[2-(3-Isopropyl-ureido)-phenyl]-acrylic acid methyl ester | 741719-96-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-[2-(3-Isopropyl-ureido)-phenyl]-acrylic acid methyl ester
• CAS: 741719-96-0
• 化学式: C₁₄H₁₈N₂O₃
• 分子量: 262.309
• InChiKey: YIBITOKREDQIAE-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-3-[2-(3-Isopropyl-ureido)-phenyl]-acrylic acid methyl ester 在 triphenylphosphine dibromide 1:1 addition complex 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以90%的产率得到
  参考文献：
  名称：

  3,4-Dihydroquinazoline derivatives as novel selective T-type Ca2+ channel blockers

  摘要：

  For LVA T-type Ca2+ channel blockers, 3,4-dihydroquinazoline derivatives as new scaffolds were prepared and evaluated for the inhibitory activity against two members of the recombinant T-type Ca2+ channel family. Among them, 8a (KYS05001, IC50 = 0-9 muM) was nearly equipotent with mibefradil (IC50 = 0.84 muM) and inhibited LVA T-type Ca2+ channel with greater efficacy than HVA Ca2+ channel. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.090
• 作为产物：
  描述：

  (E)-甲基3-(2-硝基苯基)丙烯酰基酯 在 tin(ll) chloride 作用下， 以 乙酸乙酯 、 苯 为溶剂， 反应 15.0h， 生成 (E)-3-[2-(3-Isopropyl-ureido)-phenyl]-acrylic acid methyl ester
  参考文献：
  名称：

  3,4-Dihydroquinazoline derivatives as novel selective T-type Ca2+ channel blockers

  摘要：

  For LVA T-type Ca2+ channel blockers, 3,4-dihydroquinazoline derivatives as new scaffolds were prepared and evaluated for the inhibitory activity against two members of the recombinant T-type Ca2+ channel family. Among them, 8a (KYS05001, IC50 = 0-9 muM) was nearly equipotent with mibefradil (IC50 = 0.84 muM) and inhibited LVA T-type Ca2+ channel with greater efficacy than HVA Ca2+ channel. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.090