4-(2-Trifluoromethylphenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-2-[N-(4-amino-6,7-dimethoxyquinazol-2-yl)-N-methylamino]ethoxymethyl-1,4-dihydropyridine | 102671-78-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-(2-Trifluoromethylphenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-2-2-[N-(4-amino-6,7-dimethoxyquinazol-2-yl)-N-methylamino]ethoxymethyl-1,4-dihydropyridine
• 英文别名: 3-O-ethyl 5-O-methyl 2-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]ethoxymethyl]-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 102671-78-3
• 化学式: C₃₂H₃₆F₃N₅O₇
• 分子量: 659.662
• InChiKey: KRWKCHIQKVEGLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  47
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  15

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