(E)-diethyl 4-(2-(3-(tert-butylamino)-3-oxoprop-1-enyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | 1222834-71-0

• 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)-diethyl 4-(2-(3-(tert-butylamino)-3-oxoprop-1-enyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: diethyl 4-[2-[(E)-3-(tert-butylamino)-3-oxoprop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 1222834-71-0
• 化学式: C₂₆H₃₄N₂O₅
• 分子量: 454.566
• InChiKey: BIGYBMJQLJLKQS-CCEZHUSRSA-N

物化性质

• 熔点：
  213-215.5 °C
• 沸点：
  614.0±55.0 °C(predicted)
• 密度：
  1.118±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(叔丁基)-2-氯乙酰胺 在 N,N-二异丙基乙胺 、 三氯乙酸 作用下， 以 二氯甲烷 、 异丙醇 、 甲苯 为溶剂， 反应 18.0h， 生成 (E)-diethyl 4-(2-(3-(tert-butylamino)-3-oxoprop-1-enyl)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Synthesis and antihypertensive activity evaluation in spontaneously hypertensive rats of lacidipine analogues

  摘要：

  Six analogues of lacidipine, (E)-diethyl 4-(2-(3-amino)-3-oxoprop-1-enyl)phenyl-2, 6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates (compounds 1-6), were synthesized and their antihypertensive effects in spontaneously hypertensive rats were evaluated by ig administration. Amongst the tested compounds, compound 5 exhibited the highest antihypertensive effect. The lasting time and potency of compound 5 showed a dose-dependent manner. The results suggested that N-tert-butyl acrylamide moiety at 2'-position of 4-phenyl in the structure of analogues of lacidipine is necessary to keep antihypertensive effects.

  DOI：

  10.1007/s00044-011-9680-7

文献信息

• Synthesis and antihypertensive activity evaluation in spontaneously hypertensive rats of lacidipine analogues
  作者：Zeng-jun Guo、Kai Zhou、Yong-xiao Cao、Yan Li、San-qi Zhang

  DOI：10.1007/s00044-011-9680-7

  日期：2012.8

  Six analogues of lacidipine, (E)-diethyl 4-(2-(3-amino)-3-oxoprop-1-enyl)phenyl-2, 6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates (compounds 1-6), were synthesized and their antihypertensive effects in spontaneously hypertensive rats were evaluated by ig administration. Amongst the tested compounds, compound 5 exhibited the highest antihypertensive effect. The lasting time and potency of compound 5 showed a dose-dependent manner. The results suggested that N-tert-butyl acrylamide moiety at 2'-position of 4-phenyl in the structure of analogues of lacidipine is necessary to keep antihypertensive effects.