11-[4-(2-cyanobenzyl)-1-piperazinyl]dibenz[b,f][1,4]oxazepine | 179419-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 11-[4-(2-cyanobenzyl)-1-piperazinyl]dibenz[b,f][1,4]oxazepine
• 英文别名: 2-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]benzonitrile
• CAS: 179419-02-4
• 化学式: C₂₅H₂₂N₄O
• 分子量: 394.476
• InChiKey: UHLHJVADSTYPPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  11-哌嗪基二苯并[b,f][1,4]氧氮杂卓 、 sodium;hydride 、 2-氰基溴苄 在 氩 、 氯化铵 、 乙酸乙酯 、 magnesium sulfate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 以The title compound was obtained as a white solid (2.34 g, 59%), m.p. 136°-138° C.的产率得到11-[4-(2-cyanobenzyl)-1-piperazinyl]dibenz[b,f][1,4]oxazepine
  参考文献：
  名称：

  Benzyl-substituted compounds having dopamine receptor affinity

  摘要：

  本文描述了D4受体选择性化合物的一般公式：##STR1## 其中：A和B是独立选择的、可选取的、饱和或不饱和的5-或6-成员的同系或异系环；X.sub.1选自CH.sub.2，O，NH，S，C.dbd.O，CH--OH，CH--N(C.sub.1-4烷基).sub.2，C.dbd.CHCl，C.dbd.CHCN，N--C.sub.1-4烷基，N-乙酰基，SO.sub.2和SO；X.sub.2 - - - 选自N.dbd.，CH.sub.2 --，CH.dbd.，C(O)--，O--和S--；Y选自CH和N；Z是氰基；R.sub.1代表C.sub.1-4烷基；m为0、1、2或3；n为0、1或2；q为1或2；D是5、6或7成员的饱和或不饱和的同系或异系环；以及其酸加成盐、溶剂合物和水合物。本文还描述了它们作为多巴胺受体配体用于识别和药物筛选计划，并作为药物用于治疗涉及D4受体的症状，如精神分裂症。

  公开号：

  US05602120A1

文献信息

• Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases
  申请人：Yeadon Michael

  公开号：US20070117788A1

  公开（公告）日：2007-05-24

  The present invention relates to a combination of therapeutic agents useful in the treatment of obstructive airways and other inflammatory diseases comprising (I) a dopamine D2-receptor agonist that is therapeutically effective in the treatment of said diseases when administered by inhalation; together with (II) an anti-cholinergic agent consisting of a member selected from the group consisting of tiotropium and derivatives thereof that is therapeutically effective in the treatment of said diseases when administered by inhalation; as well as to a method of treating said obstructive airways and other inflammatory diseases comprising administering to said mammal by inhalation a therapeutically effective amount of said combination of therapeutic agents; and a pharmaceutical composition comprising a pharmaceutically acceptable carrier together with said combination of therapeutic agents; and a package containing a pharmaceutical composition for insertion into a device capable of simultaneous or sequential delivery of said pharmaceutical composition in the form of an aerosol or dry powder dispersion to said mammal, where said device is a metered dose inhaler or a dry powder inhaler. It is preferred that said dopamine D2-receptor agonist component be bromocriptine mesylate, naxagolide hydrochloride, cabergoline, pergolide mesylate, quinpirole hydrochloride, or ropinirole hydrochloride; and that said anti-cholinergic agent component be tiotropium bromide.
• US5602120A
  申请人：——

  公开号：US5602120A

  公开（公告）日：1997-02-11
• [EN] BENZYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY<br/>[FR] COMPOSES SUBSTITUES PAR BENZYLE PRESENTANT UNE AFFINITE POUR LES RECEPTEURS DE LA DOPAMINE
  申请人：ALLELIX BIOPHARMACEUTICALS INC.

  公开号：WO1996018623A1

  公开（公告）日：1996-06-20

  (EN) Described herein are D4 receptor-selective compounds of general formula (I), wherein A and B are independently selected, optionally substituted, saturated or unsaturated 5- or 6-membered, homo- or heterocyclic rings; X1 is selected from O, S, SO, SO2, C=O, CH2, CH-OH, CH-N(C1-4alkyl)2, C=CHCl, C=CHCN, NH, N-C1-4alkyl and N-acetyl; X2--- is selected from N=, CH2-, CH= and C(O)-; Y is selected from CH and N; Z is cyano; R1 represents C1-4alkyl; m is 0, 1, 2 or 3; n is 0, 1 or 2; q is 1 or 2; and D is a 5, 6, or 7-membered, saturated or unsaturated, homo- or heterocyclic ring; and acid addition salts, solvates and hydrates thereof. Their use as ligands for dopamine receptor identification and in a drug screening program, and as pharmaceuticals to treat indications in which the D4 receptor is implicated, such as schizophrenia, is also described.(FR) L'invention se rapporte à des composés sélectifs par rapport au récepteur D4, de la formule générale (I), dans laquelle A et B, qui sont indépendamment choisis, représentent des noyaux homo- ou hétérocycliques, saturés ou insaturés, à 5 ou 6 chaînons, éventuellement substitués; X1 est choisi parmi O, S, SO2, SO, C=O, CH2, CH-OH, CH-N(alkyle C1-4)2, C=CHCl, C=CHCN, NH, N-alkyle C1-4, et N-acétyle; X2--- est choisi parmi N=, CH2-, CH= et C(O)-; Y est choisi entre N et CH; Z représente cyano; R1 représente alkyle C1-4; m vaut 0, 1, 2 ou 3; n vaut 0, 1 ou 2; q vaut 1 ou 2; et D représente un noyau homo- ou hétérocyclique, saturé ou insaturé, à 5, 6 ou 7 chaînons; et à leurs sels d'addition d'acide, solvates et hydrates. L'utilisation de ces composés comme ligands pour l'identification du récepteur de la dopamine et dans le cadre d'un programme de criblage de médicaments, ainsi que comme agents pharmaceutiques permettant de traiter des états dans lesquels le récepteur D4 est impliqué, tels que la schizophrénie, est également décrite.