4-(2-Chlorothien-3-yl)-3-ethoxycarboyl-5-methoxycarbonyl-6-methyl-2-(2-dimethylaminoethoxymethyl)-1,4-dihydropyridine

• 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-Chlorothien-3-yl)-3-ethoxycarboyl-5-methoxycarbonyl-6-methyl-2-(2-dimethylaminoethoxymethyl)-1,4-dihydropyridine
• 英文别名: 3-O-ethyl 5-O-methyl 4-(2-chlorothiophen-3-yl)-2-[2-(dimethylamino)ethoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C₂₀H₂₇ClN₂O₅S
• 分子量: 442.964
• InChiKey: AOIIYEHZHPGMSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯噻吩-3-甲醛 、 β-氨基巴豆酸甲酯 、 ethyl 4-[2-(dimethylamino)ethoxy]acetoacetate 以 乙醇 为溶剂， 生成 4-(2-Chlorothien-3-yl)-3-ethoxycarboyl-5-methoxycarbonyl-6-methyl-2-(2-dimethylaminoethoxymethyl)-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

• Dihydropyridine cardiovascular agents
  申请人：Pfizer Limited

  公开号：EP0168151A1

  公开（公告）日：1986-01-15

  Compounds of the formula: and pharmaceutically acceptable salts thereof wherein R is aryl or heteroaryl; R' and R2 are each independently C1-C4 alkyl. 2-hydroxyethyl or 2-methoxyethyl; R3 and R4 are each independently H or C1-C4 alkyl or taken together with the nitrogen atom to which they are attached, they form a pyrrolidinyl, piperidyl, morpholino, piperazinyl or N-(C1-C4 alkyl)piperazinyl group; R5 is C1-C4 alkyl which may be optionally substituted by OH or C1-C4 alkoxy; Y is a C2-C6 alkylene bridge which may be branched and which may optionally be substituted by OH, or alternatively, R5 may be a C1-C4 alkylene bridge linked to a carbon atom in Y to form. with the nitrogen atom to which they are attached, a piperidine ring; Q is CH or N;each X is independently C1-C4 alkyl, C1-C4 alkoxy, halogen or CF3 and m is 0 or an integer of from 1 to 3; are cardiovascular agents having both calcium antagonist and alpha1-antgonist activity and are useful for the treatment of hypertension, heart failure and angina.

  式中的化合物 及其药学上可接受的盐 其中 R 是芳基或杂芳基；R'和 R2 各自独立地是 C1-C4 烷基。R3和R4各自独立地为H或C1-C4烷基，或与所连接的氮原子一起形成吡咯烷基、哌啶基、吗啉基、哌嗪基或N-(C1-C4烷基)哌嗪基；R5 是 C1-C4 烷基，可任选被 OH 或 C1-C4 烷氧基取代；Y 是 C2-C6 亚烷基桥，可以是支链，可任选被 OH 取代，或者，R5 可以是 C1-C4 亚烷基桥，与 Y 中的一个碳原子相连形成。它们是具有钙拮抗剂和α1-激动剂活性的心血管药物，可用于治疗高血压、心力衰竭和心绞痛。
• 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。