3-[4-(2-pyrazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-[4-(2-pyrazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate
• 英文别名: 3-(4-pyrazin-2-ylpiperazin-1-yl)propyl N-(2-ethoxyphenyl)carbamate
• 化学式: C₂₀H₂₇N₅O₃
• 分子量: 385.466
• InChiKey: BPDWDUJPWWHGSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 (2S,3S,4S,5R,6S)-6-[[(4R,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 、 1-(2,5-二甲基苯基)哌嗪 在 三氟乙酸 作用下， 反应 2.0h， 生成 3-[4-(4-pyridinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-pyrimidinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(4-pyrimidinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(3-pyridazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-pyrazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-pyridinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-methylphenyl)piperazino]propyl N-(2-ethoxyphenyl)carbamate 、 3-[4-(4-methylphenyl)piperazino]propyl N-(2-ethoxyphenyl)carbamate 、 3-[4-(3-methylphenyl)piperazino]propyl N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-chlorophenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-fluorophenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(6-chloro-3-pyridazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(6-methyl-3-pyridazinyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2-methoxyphenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(4-fluorophenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(4-chlorophenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(3-chlorophenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(3-methoxyphenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-(2,5-dimethylphenyl)piperazino]propyl-N-(2-ethoxyphenyl)carbamate 、 3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl-N-(2-ethoxyphenyl)carbamate
  参考文献：
  名称：

  Aryl carbamate derivatives, preperation and use thereof

  摘要：

  本发明涉及新化合物，其制备和使用，特别是在治疗方面。更具体地说，它涉及从芳基氨基甲酸酯衍生的化合物，其制备和使用，特别是在人类和动物健康领域。根据本发明的化合物首选是5-HT4受体的血清素受体配体，因此可以在治疗或预防涉及5-HT4受体的任何疾病的治疗中使用。本发明还涉及包含此类化合物的药物组合物，其制备和使用以及使用该化合物的治疗方法。

  公开号：

  US20040058933A1

文献信息

• US7238693B2
  申请人：——

  公开号：US7238693B2

  公开（公告）日：2007-07-03
• Aryl carbamate derivatives, preperation and use thereof
  申请人：——

  公开号：US20040058933A1

  公开（公告）日：2004-03-25

  The present invention relates to novel compounds, the preparation and use, particularly therapeutic, thereof. More specifically, it relates to compounds derived from aryl carbamates, the preparation and use thereof, particularly in the field of human and animal health. The compounds according to the invention are preferably 5-HT 4 serotoninergic receptor ligands and can therefore be used in the therapeutic or prophylactic treatment of any disorder involving a 5-HT 4 receptor. The invention also relates to pharmaceutical compositions comprising such compounds, the preparation and use thereof and treatment methods using said compounds.

  本发明涉及新化合物，其制备和使用，特别是在治疗方面。更具体地说，它涉及从芳基氨基甲酸酯衍生的化合物，其制备和使用，特别是在人类和动物健康领域。根据本发明的化合物首选是5-HT4受体的血清素受体配体，因此可以在治疗或预防涉及5-HT4受体的任何疾病的治疗中使用。本发明还涉及包含此类化合物的药物组合物，其制备和使用以及使用该化合物的治疗方法。