3-trifluoracetyl-7-amino-1,2,4,5-tetrahydro-benzo[D]azepine | 163068-05-1

• 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: 3-trifluoracetyl-7-amino-1,2,4,5-tetrahydro-benzo[D]azepine
• 英文别名: 1-(7-amino-1,2,4,5-tetrahydrobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one；1-(7-amino-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-2,2,2-trifluoroethane-1-one；1-(7-amino-4,5-di-1H-benzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone；3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-amine；1-(7-amino-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-2,2,2-trifluoro-ethanone；1-(7-amino-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone；7-amino-3-trifluoroacetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine；3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine；7-amino-3-trifluoroacetyl-2,3,4,5-tetrahydro-1H-3-benzazepine；1-(7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2,2,2-trifluoroethanone
• CAS: 163068-05-1
• 化学式: C₁₂H₁₃F₃N₂O
• 分子量: 258.243
• InChiKey: MAFMDAMXSHBOOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  435.7±45.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-trifluoracetyl-7-amino-1,2,4,5-tetrahydro-benzo[D]azepine 在 氨 、 三乙酰氧基硼氢化钠 、 zinc(II) chloride 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 生成 3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
  参考文献：
  名称：

  1-Thia-4,7-diaza-spiro[4.4]nonane-3,6-dione: A Structural Motif for 5-hydroxytryptamine 6 Receptor Antagonism

  摘要：

  A series of potent 5‐hydroxytryptamine 6 (5‐HT6) receptor antagonists based on 1‐thia‐4,7‐diaza‐spiro[4.4]nonane‐3,6‐dione motif has been disclosed. Enantiomers of potent racemate compound 8a (Ki = 26 nm) displayed difference in activity (Ki of 15 nm versus 855 nm) signaling the influence of the stereochemistry of the chiral center on potency. In addition, the potent enantiomer displayed significant selectivity in biological activities over several related family members.

  DOI：

  10.1111/cbdd.12240
• 作为产物：
  描述：

  7-硝基-2,3,4,5-四氢-1H-苯并[d]氮杂卓 在 palladium 10% on activated carbon 、 甲酸铵 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 3-trifluoracetyl-7-amino-1,2,4,5-tetrahydro-benzo[D]azepine
  参考文献：
  名称：

  [EN] BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF
  [FR] BENZAZÉPINES EN TANT QUE LIGANDS DU RÉCEPTEUR 5-HT2C DE LA SÉROTONINE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2014100815A3

文献信息

• [EN] AMINE COMPOUNDS<br/>[FR] DERIVES D'INDOLE SERVANT D'ANTAGONISTE DE SOMATOSTATINE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004046107A1

  公开（公告）日：2004-06-03

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R1 and R2 are the same or different and each represents a hydrogen atom, etc.; R3 represents a hydrogen atom, etc.; R4 and R5 are the same or different and each represents a hydrogen, etc.; R6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种公式(I)的化合物，其中环A代表一个具有可选取代基的芳香环；B、Y和Ya相同或不同，分别代表一个键等；R1和R2相同或不同，每个代表一个氢原子等；R3代表一个氢原子等；R4和R5相同或不同，每个代表一个氢等；R6代表一个可选有取代基的吲哚基团；Z和Za相同或不同，每个代表一个氢原子等；或其盐或前药，具有生长抑素受体结合抑制活性，并且用于预防或治疗与生长抑素相关的疾病。
• NOVEL COMPOUNDS
  申请人：GRAUERT Matthias

  公开号：US20130143870A1

  公开（公告）日：2013-06-06

  This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, X, R 1 , R 2 , R 3 have meanings given in the description.

  这项发明涉及公式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神障碍，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、X、R1、R2、R3在描述中给出了它们的含义。
• Tetrahydrobenzazepines and their use
  申请人：Braje M. Wilfried

  公开号：US20050137186A1

  公开（公告）日：2005-06-23

  The invention relates to tetrahydrobenzazepines of the general formula I in which the variables Ar, A, B, Y, R 1 and R 2 have the meaninigs indicated in claim 1, as well as the N-oxides of these compounds, the physiologically tolerated acid addition salts of these compounds and the physiologically tolerated acid addition salts of the N-oxides. The invention also relates to a pharmaceutical compositon that comprises at least one tetrahydrobenzazepine compound of the formula I, the physically tolerated acid addition salt of I, the N-oxide of compound of the formula I and/or the physically tolerated acid addition salts of the N-oxides of I, and further to the use of a compound according to the present invention for treating disorders that respond benefically to dopamine D 3 receptor antagonists or dopamine D 3 agonists. The compounds according to the invention are preferably useful for the treatment of disorders of the central nervous system such as schizophrenia and depression and for the treatment of renal function disorders.

  该发明涉及一般式I的四氢苯并氮杂环己烷，其中变量Ar、A、B、Y、R1和R2的含义如权利要求1所示，以及这些化合物的N-氧化物，这些化合物的生理耐受酸盐以及这些化合物的N-氧化物的生理耐受酸盐。该发明还涉及一种制剂，包括至少一种一般式I的四氢苯并氮杂环己烷化合物，一般式I的生理耐受酸盐，一般式I的化合物的N-氧化物和/或一般式I的N-氧化物的生理耐受酸盐，并且还涉及根据本发明用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的化合物的用途。根据本发明的化合物优选用于治疗中枢神经系统疾病，如精神分裂症和抑郁症，以及治疗肾功能障碍。
• SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES
  申请人：Pouzet Pascale

  公开号：US20110021501A1

  公开（公告）日：2011-01-27

  The invention relates to new piperidino-dihydrothienopyrimidines of formula 1, as well as pharmacologically acceptable salts thereof, wherein X is SO or SO 2 , but preferably SO, and wherein R 1 , R 2 , R 3 and R 4 may have the meanings given in claim 1 , as well as pharmaceutical compositions which contain these compounds. These new piperidino-dihydrothienopyrimidines are suitable for the treatment of respiratory or gastrointestinal complaints or diseases, inflammatory diseases of the joints, skin or eyes, diseases of the peripheral or central nervous system or cancers.

  本发明涉及通式1的新哌啶二氢噻吩并嘧啶类化合物及其药理上可接受的盐，其中X为SO或SO2，优选SO，并且其中R1、R2、R3和R4可具有权利要求1中所述的含义，以及含有这些化合物的药物组合物。这些新哌啶二氢噻吩并嘧啶类化合物适用于治疗呼吸系统或胃肠道疾病、关节、皮肤或眼睛的炎症性疾病、周围或中枢神经系统疾病或癌症。
• Cyclic derivatives pharmaceutical compositions containing these
  申请人：Karl Thomae GmbH

  公开号：US05519036A1

  公开（公告）日：1996-05-21

  The invention relates to cyclic derivatives of general formula ##STR1## wherein R.sub.a, R.sub.b, X and Y are as defined in claim 1, the tautomers, the stereoisomers including the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with organic or inorganic acids or bases, which have valuable pharmacological properties, preferably aggregation-inhibiting effects, pharmaceutical compositions containing the compounds and processes for preparing them.

  该发明涉及一般式##STR1##的环状衍生物，其中R.sub.a、R.sub.b、X和Y如权利要求1中定义，其互变异构体、立体异构体包括其混合物和其盐，特别是其与有机或无机酸或碱形成的生理上可接受的盐，具有有价值的药理特性，优选聚集抑制效果，含有该化合物的药物组合物以及其制备方法。