diethyl 4-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate | 1421235-33-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 4-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
• CAS: 1421235-33-7
• 化学式: C₂₆H₂₈ClNO₆
• 分子量: 485.964
• InChiKey: JHUWCLOCGYYIGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-氯苯甲醛 、 3,4-二甲氧基苄胺 、 丙炔酸乙酯 在 溶剂黄146 作用下， 反应 0.5h， 以70.6%的产率得到diethyl 4-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Discovery of novel 1,4-dihydropyridine-based PDE4 inhibitors

  摘要：

  Substituted 1,4-dihydropyridines were discovered as a novel and potent series of phosphodiesterase 4 (PDE4) inhibitors. Structure-activity relationships within this series have been carried out and studies revealed that the dihydropyridine core, with indole moiety and 3,4-dimethoxybenzyl group, is a potent analogue for PDE4 inhibition. These novel series of compounds were prepared via a 3-component reaction in a single pot. In vitro biological activity, modeling studies and crystallography data are also reported. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.121

文献信息

• Discovery of novel 1,4-dihydropyridine-based PDE4 inhibitors
  作者：Rajamohan R. Poondra、Ratnam V. Nallamelli、Chandana Lakshmi Teja Meda、B.N.V. Srinivas、Anushka Grover、Jyotsna Muttabathula、Sreedhara R. Voleti、Balasubramanian Sridhar、Manojit Pal、Kishore V.L. Parsa

  DOI：10.1016/j.bmcl.2012.11.121

  日期：2013.2

  Substituted 1,4-dihydropyridines were discovered as a novel and potent series of phosphodiesterase 4 (PDE4) inhibitors. Structure-activity relationships within this series have been carried out and studies revealed that the dihydropyridine core, with indole moiety and 3,4-dimethoxybenzyl group, is a potent analogue for PDE4 inhibition. These novel series of compounds were prepared via a 3-component reaction in a single pot. In vitro biological activity, modeling studies and crystallography data are also reported. (C) 2012 Elsevier Ltd. All rights reserved.