(E)-3-(3-(环戊氧基)-4-甲氧基苯基)-2-(吡啶-4-基)丙烯酰氯 | 468737-07-7

• 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
• 中文名称: (E)-3-(3-(环戊氧基)-4-甲氧基苯基)-2-(吡啶-4-基)丙烯酰氯
• 英文名称: (E)-3-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyridin-4-yl-acryloyl chloride
• 英文别名: (E)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoyl chloride
• CAS: 468737-07-7
• 化学式: C₂₀H₂₀ClNO₃
• 分子量: 357.837
• InChiKey: KVZSZLDBFSRUHH-SFQUDFHCSA-N

物化性质

• 沸点：
  507.4±50.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-3-(3-(环戊氧基)-4-甲氧基苯基)-2-(吡啶-4-基)丙烯酰氯 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-[(2R)-2-(3-环戊基氧基-4-甲氧基苯基)-2-苯基乙基]吡啶
  参考文献：
  名称：

  CDP840. A prototype of a novel class of orally active anti-Inflammatory phosphodiesterase 4 inhibitors

  摘要：

  The discovery, synthesis and biological activity of a series of triarylethane phosphodiesterase 4 inhibitors is described. Structure-activity relationship studies are presented for CDP840 29), a potent, chiral, selective inhibitor of PDE 4 (IC50 4nM). CDP840 is non-emetic in the ferret at 30 mg kg(-1) (po), active in models of inflammation and reverses ozone-induced bronchial hyperreactivity in the guinea pig. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00202-0
• 作为产物：
  描述：

  3-环戊氧-4-甲氧基苯甲醛 在 哌啶 、 sodium hydroxide 、 氯化亚砜 、 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 (E)-3-(3-(环戊氧基)-4-甲氧基苯基)-2-(吡啶-4-基)丙烯酰氯
  参考文献：
  名称：

  CDP840. A prototype of a novel class of orally active anti-Inflammatory phosphodiesterase 4 inhibitors

  摘要：

  The discovery, synthesis and biological activity of a series of triarylethane phosphodiesterase 4 inhibitors is described. Structure-activity relationship studies are presented for CDP840 29), a potent, chiral, selective inhibitor of PDE 4 (IC50 4nM). CDP840 is non-emetic in the ferret at 30 mg kg(-1) (po), active in models of inflammation and reverses ozone-induced bronchial hyperreactivity in the guinea pig. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00202-0

文献信息

• CDP840. A prototype of a novel class of orally active anti-Inflammatory phosphodiesterase 4 inhibitors
  作者：R.P. Alexander、G.J. Warrellow、M.A.W. Eaton、E.C. Boyd、J.C. Head、J.R. Porter、J.A. Brown、J.T. Reuberson、B. Hutchinson、P. Turner、B. Boyce、D. Barnes、B. Mason、A. Cannell、R.J. Taylor、A. Zomaya、A. Millican、J. Leonard、R. Morphy、M. Wales、M. Perry、R.A. Allen、N. Gozzard、B. Hughes、G. Higgs

  DOI：10.1016/s0960-894x(02)00202-0

  日期：2002.6

  The discovery, synthesis and biological activity of a series of triarylethane phosphodiesterase 4 inhibitors is described. Structure-activity relationship studies are presented for CDP840 29), a potent, chiral, selective inhibitor of PDE 4 (IC50 4nM). CDP840 is non-emetic in the ferret at 30 mg kg(-1) (po), active in models of inflammation and reverses ozone-induced bronchial hyperreactivity in the guinea pig. (C) 2002 Elsevier Science Ltd. All rights reserved.