2-(ethoxycarbonyl)-2-desmethylmianserin

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2-(ethoxycarbonyl)-2-desmethylmianserin
• 英文别名: ethyl (1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepin-2-yl)formate；ethyl 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene-5-carboxylate
• 化学式: C₂₀H₂₂N₂O₂
• 分子量: 322.407
• InChiKey: IYVVSLXXUZDUNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(ethoxycarbonyl)-2-desmethylmianserin 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 去甲基米安色林
  参考文献：
  名称：

  Hybrid approach for the design of highly affine and selective dopamine D3 receptor ligands using privileged scaffolds of biogenic amine GPCR ligands

  摘要：

  A series of compounds containing privileged scaffolds of the known histamine H-1 receptor antagonists cetirizine, mianserin, ketotifen, loratadine, and bamipine were synthesized for further optimization as ligands for the related biogenic amine binding dopamine D-3 receptor. A pharmacological screening was carried out at dopamine D-2 and D-3 receptors. In the preliminary testing various ligands have shown moderate to high affinities for dopamine D-3 receptors, for example, N-(4-{4-[benzyl(phenyl)amino]piperidin-1-yl} butylnaphthalen-2-carboxamide (19a) (hD(3) K-i = 0.3 nM; hD(2) K-i = 703 nM), leading to a selectivity ratio of 2343. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.08.034
• 作为产物：
  描述：

  氯甲酸乙酯 、 米赛林 以 甲苯 为溶剂， 反应 2.5h， 以5.6 g的产率得到2-(ethoxycarbonyl)-2-desmethylmianserin
  参考文献：
  名称：

  氘代棉桃素的合成及NMR分析

  摘要：

  已经合成了11种棉桃素的氘代类似物，并通过1 H和13 C NMR进行了分析。基于这些化合物，可以解释棉兰素1 H光谱中的芳族部分。

  DOI：

  10.1002/recl.19831021007

文献信息

• Syntheses and NMR analyses of deuterated mianserins
  作者：Frans M. Kaspersen、J. S. Favier、Gerard Wagenaars、Jan Wallaart、Carel W. Funke

  DOI：10.1002/recl.19831021007

  日期：——

  Eleven deuterated analogues of mianserin have been synthesized and analyzed by 1H and 13C NMR. Based on these compounds, the aromatic part of the 1H spectrum of mianserin could be interpreted.

  已经合成了11种棉桃素的氘代类似物，并通过1 H和13 C NMR进行了分析。基于这些化合物，可以解释棉兰素1 H光谱中的芳族部分。
• Piperazinealkanoic acid and a pharmaceutical composition comprising the
  申请人：Hokuriku Pharmaceutical Co., Ltd.

  公开号：US05344828A1

  公开（公告）日：1994-09-06

  Novel polycyclic compounds represented by the following formula: A--(CH.sub.2).sub.n --COOR.sup.1, wherein R.sup.1 represents a hydrogen atom or a lower alkyl group; n represents an integer of from 0 to 5; and A is a group represented by the following formula: ##STR1## wherein X represents a hydrogen atom or a halogen atom; and Y represents a methylene group, an oxygen atom, or a sulfur atom, or A is a group represented by the following formula: ##STR2## and pharmacologically acceptable salts thereof are disclosed. Also disclosed are a method for preparing the same, a pharmaceutical composition comprising the same, an antiallergic agent and an agent for bronchial asthma comprising the same, and a method for treatment of an allergic disease or bronchial asthma comprising the step of administering the same.

  以下公式所代表的新型多环化合物：A--(CH.sub.2).sub.n --COOR.sup.1，其中R.sup.1代表氢原子或较低的烷基基团；n代表0到5之间的整数；A是由以下公式表示的基团：##STR1## 其中X代表氢原子或卤原子；Y代表亚甲基基团、氧原子或硫原子，或A是由以下公式表示的基团：##STR2## 以及其药理学上可接受的盐。还公开了一种制备上述化合物的方法，包括该化合物的药物组合物，包括抗过敏药和支气管哮喘药，以及包括给药的过敏性疾病或支气管哮喘的治疗方法。
• A polycyclic compound, method for preparing the same, and pharmaceutical composition comprising the same
  申请人：HOKURIKU PHARMACEUTICAL CO., LTD.

  公开号：EP0447857B1

  公开（公告）日：1994-12-14
• Hybrid approach for the design of highly affine and selective dopamine D3 receptor ligands using privileged scaffolds of biogenic amine GPCR ligands
  作者：Britta C. Sasse、Ulrich R. Mach、Jukka Leppaenen、Thierry Calmels、Holger Stark

  DOI：10.1016/j.bmc.2007.08.034

  日期：2007.12

  A series of compounds containing privileged scaffolds of the known histamine H-1 receptor antagonists cetirizine, mianserin, ketotifen, loratadine, and bamipine were synthesized for further optimization as ligands for the related biogenic amine binding dopamine D-3 receptor. A pharmacological screening was carried out at dopamine D-2 and D-3 receptors. In the preliminary testing various ligands have shown moderate to high affinities for dopamine D-3 receptors, for example, N-(4-4-[benzyl(phenyl)amino]piperidin-1-yl} butylnaphthalen-2-carboxamide (19a) (hD(3) K-i = 0.3 nM; hD(2) K-i = 703 nM), leading to a selectivity ratio of 2343. (C) 2007 Elsevier Ltd. All rights reserved.