4-(2,3-dichlorophenyl)-2-(2-dimethylaminoethoxy)methyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine | 102672-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(2,3-dichlorophenyl)-2-(2-dimethylaminoethoxy)methyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine
• 英文别名: 4-(2,3-Dichlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-[2-N,N-dimethylaminoethoxymethyl]-1,4-dihydropyridine；3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 102672-40-2
• 化学式: C₂₂H₂₈Cl₂N₂O₅
• 分子量: 471.381
• InChiKey: NXFBDCSKCPCQPJ-UHFFFAOYSA-N

物化性质

• 沸点：
  543.2±50.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-氨基巴豆酸乙酯 、 ethyl 4-[2-(dimethylamino)ethoxy]acetoacetate 、 2,3-二氯苯甲醛 生成 4-(2,3-dichlorophenyl)-2-(2-dimethylaminoethoxy)methyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine
  参考文献：
  名称：

  2-(2-quinazolinylaminoalkoxymethyl)-1,4-dihydropyridine derivatives as

  摘要：

  上述公式中的二氢吡啶，其中R是氯硫烯基或单取代或双取代苯基，所述取代基为氟、氯、溴或三氟甲基；R.sup.1和R.sup.2分别是烷基；R.sup.3和R.sup.4在单独取时分别是氢或烷基；R.sup.3和R.sup.4与它们连接的氮一起时是哌啶或吡咯啉；R.sup.5是烷基或2-羟乙基；R.sup.6是氢或甲氧基；X和Z分别是氢或甲氧基；Y是烷基；R.sup.7是氯苯基或三氟甲基氯苯基；p为0或1；Q是CH或N，在治疗高血压、心力衰竭和心绞痛方面是有用的。

  公开号：

  US04647565A1

文献信息

• Long-acting dihydropyridine calcium antagonists. 7. Compounds containing unsaturation in the 2-substituent on the 1,4-dihydropyridine ring
  作者：D Alker、PE Cross

  DOI：10.1016/0223-5234(91)90197-u

  日期：1991.9

  To evaluate the effect of introducing unsaturation into the 2-substituent of 1,4-dihydropyridines related to amlodipine (1), a number of alkene and alkyne analogues were prepared and their calcium antagonist activity was assessed. For several series of compounds, in vitro potency increased in the order alkane < alkene < alkyne. This trend may either reflect decreasing entropy loss on binding to the DHP receptor or be a consequence of a favourable pi-interaction with the DHP receptor.
• US4647565A
  申请人：——

  公开号：US4647565A

  公开（公告）日：1987-03-03
• 2-(2-quinazolinylaminoalkoxymethyl)-1,4-dihydropyridine derivatives as
  申请人：Pfizer Inc.

  公开号：US04647565A1

  公开（公告）日：1987-03-03

  Dihydropyridines of the formulae ##STR1## wherein R is chlorothienyl or mono- or disubstituted phenyl where said substituent is fluoro, chloro, bromo or trifluoromethyl; R.sup.1 and R.sup.2 are each alykl; R.sup.3 and R.sup.4 when taken separately are each hydrogen or alkyl; R.sup.3 and R.sup.4 when taken together with the nitrogen to which they are attached are piperidine or pyrrolidine; R.sup.5 is alkyl or 2-hydroxyethyl; R.sup.6 is hydrogen or methoxy; X and Z are each hydrogen or methoxy; Y is alkylene; R.sup.7 is chlorophenyl or trifluoromethyl-chlorophenyl; p is 0 or 1; and Q is CH or N are useful in the treatment of hypertension, heart failure and angina.

  上述公式中的二氢吡啶，其中R是氯硫烯基或单取代或双取代苯基，所述取代基为氟、氯、溴或三氟甲基；R.sup.1和R.sup.2分别是烷基；R.sup.3和R.sup.4在单独取时分别是氢或烷基；R.sup.3和R.sup.4与它们连接的氮一起时是哌啶或吡咯啉；R.sup.5是烷基或2-羟乙基；R.sup.6是氢或甲氧基；X和Z分别是氢或甲氧基；Y是烷基；R.sup.7是氯苯基或三氟甲基氯苯基；p为0或1；Q是CH或N，在治疗高血压、心力衰竭和心绞痛方面是有用的。