2,2,2-trifluoro-1-(7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepin-3-yl)ethan-1-one | 158726-29-5

• 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: 2,2,2-trifluoro-1-(7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepin-3-yl)ethan-1-one
• 英文别名: 2,2,2-trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)ethan-1-one；2,2,2-trifluoro-1-(7-nitro-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)ethanone；7-nitro-3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine；3-trifluoroacetyl-7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepine；7-nitro-3-trifluoroacetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine；2,2,2-trifluoro-1-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
• CAS: 158726-29-5
• 化学式: C₁₂H₁₁F₃N₂O₃
• 分子量: 288.226
• InChiKey: PVJUZJYSAJORLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 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：
  66.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-1-(7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepin-3-yl)ethan-1-one 在 甲醇 、 potassium carbonate 作用下， 以95.5 %的产率得到7-硝基-2,3,4,5-四氢-1H-苯并[d]氮杂卓
  参考文献：
  名称：

  [EN] TRICYCLIC HPK1 INHIBITOR AND USE THEREOF
  [FR] INHIBITEUR DE HPK1 TRICYCLIQUE ET SON UTILISATION
  [ZH] 三并环类HPK1抑制剂及其用途

  摘要：

  本发明属于医药技术领域，具体涉及一类三并环类HPK1抑制剂化合物、其药学上可接受的盐或其立体异构体，含有所述化合物、其药学上可接受的盐或其异构体的药物组合物及制剂，制备所述化合物、其药学上可接受的盐或其立体异构体的方法，以及所述化合物、其药学上可接受的盐或其立体异构体的用途。

  公开号：

  WO2022188823A1
• 作为产物：
  描述：

  2,3,4,5 -四氢-1H -苯并[D]氮杂卓 在 吡啶 、 硫酸 、 potassium nitrate 作用下， 反应 31.0h， 生成 2,2,2-trifluoro-1-(7-nitro-2,3,4,5-tetrahydro-1H-benzo[d]azepin-3-yl)ethan-1-one
  参考文献：
  名称：

  [EN] TRICYCLIC HPK1 INHIBITOR AND USE THEREOF
  [FR] INHIBITEUR DE HPK1 TRICYCLIQUE ET SON UTILISATION
  [ZH] 三并环类HPK1抑制剂及其用途

  摘要：

  本发明属于医药技术领域，具体涉及一类三并环类HPK1抑制剂化合物、其药学上可接受的盐或其立体异构体，含有所述化合物、其药学上可接受的盐或其异构体的药物组合物及制剂，制备所述化合物、其药学上可接受的盐或其立体异构体的方法，以及所述化合物、其药学上可接受的盐或其立体异构体的用途。

  公开号：

  WO2022188823A1

文献信息

• 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。
• 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。
• SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS
  申请人：Priepke Henning

  公开号：US20100216769A1

  公开（公告）日：2010-08-26

  The present invention relates to new substituted glycinamides of general formula (I) wherein D, M, R 3 , R 4 and R 5 are defined as in the specification, the tautomers, enantiomers, diastereomers, mixtures and salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

  本发明涉及一般式(I)的新取代甘氨酰胺，其中D、M、R3、R4和R5如规范中定义，其互变异构体、对映异构体、非对映异构体、混合物以及其盐，特别是其与无机或有机酸或碱形成的生理上可接受的盐，具有有价值的特性。
• Antibacterial agents
  申请人：Hagen Susan

  公开号：US20050070523A1

  公开（公告）日：2005-03-31

  Compounds of formula I and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications, including using the invention compounds to treat bacterial infections.

  本发明公开了化学式I的化合物及其制备方法。还公开了制备具有生物活性的化学式I化合物的方法，以及包含化学式I化合物的药学上可接受的组合物的制备方法。如本文所述的化学式I化合物可用于各种应用，包括使用发明化合物治疗细菌感染。
• Benzenesulfonamide derivatives as antipsychotic agents
  申请人：Bromidge Mark Steven

  公开号：US20050222124A1

  公开（公告）日：2005-10-06

  The invention provides compounds of formula (I) wherein A and B represent the groups —(CH 2 ) m - and —(CH 2 ) n -respectively; R 1 represents hydrogen or C 1-6 alkyl; R 2 represents hydrogen, halogen, hydroxy, cyano, nitro, hydroxyC 1-6 alkyl, trifluoromethyl, trifluoromethoxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxyC 1-6 alkyl, C 3-7 cycloalkylC 1-6 alkoxy, —(CH 2 ) p C 3-6 cycloalkyl, —(CH 2 ) p C 3-6 cycloalkyloxy, —COC 1-6 alkyl, —SO 2 C 1-6 alkyl, —SOC 1-6 alkyl, —S—C 1-6 alkyl, C 1-6 alkylsulfonyloxy, C 1-6 alkylsulfonylC 1-6 alkyl, —CO 2 C 1-6 alkyl, —CO 2 NR 7 R 8 , —SO 2 NR 7 R 8 , C 1-6 alkylsulfonamido, C 1-6 alkylsulfonamidoC 1-6 alkyl, —(CH 2 ) p NR 7 R 8 , C 1-6 alkylamidoC 1-6 alkyl, —(CH 2 ) p NR 7 COR 8 , arylsulfonyl, arylsulfonyloxy, arylsulfonylC 1-6 alkyl, arylsulfonamido, arylcarboxamido, arylsulfonamidoC 1-6 alkyl, arylcarboxamidoC 1-6 alkyl, aroyl, aroylC 1-6 alkyl, arylC 1-6 alkanoyl, —SO 2 NR 7 R 8 , optionally substituted aryl, optionally substituted heteroaryl or optionally substituted heterocyclyl, or a group CONR 7 R 8 or SO 2 NR 7 R 8 wherein R 7 and R 8 together may be fused to form a 5- 7-membered aromatic or non-aromatic heterocyclic ring optionally interrupted by an O or S atom; R 3 represents hydrogen or C 1-6 alkyl; Ar represents optionally substituted phenyl or optionally substituted monocyclic heteroaryl group; R 4 represents optionally substituted aryl or optionally substituted heteroaryl; R 7 and R 8 each independently represent hydrogen, C 1-6 alkyl or together form a 5- to 7-membered heterocyclic ring; Z represents a bond, an oxygen atom or C 1-6 alkyl; Y represents hydrogen or C 1-6 alkyl; m and n independently represent an integer selected from 1 and 2; p independently represents an integer selected from 0, 1, 2 and 3; q represents an integer from 1 to 3; r represents an integer from 1 to 4; or a pharmaceutically acceptable salt or solvate thereof. The compounds are useful in therapy, in particular as antipsychotic agents.

  本发明提供了化合物的公式（I），其中A和B分别表示基团—（CH2）m-和—（CH2）n-；R1表示氢或C1-6烷基；R2表示氢、卤素、羟基、氰基、硝基、羟基C1-6烷基、三氟甲基、三氟甲氧基、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、C3-7环烷基C1-6烷氧基、—（CH2）pC3-6环烷基、—（CH2）pC3-6环烷氧基、—COC1-6烷基、—SO2C1-6烷基、—SOC1-6烷基、—S—C1-6烷基、C1-6烷基磺酰氧基、C1-6烷基磺酰C1-6烷基、—CO2C1-6烷基、—CO2NR7R8、—SO2NR7R8、C1-6烷基磺酰胺基、C1-6烷基磺酰胺基C1-6烷基、—（CH2）pNR7R8、C1-6烷基酰胺基C1-6烷基、—（CH2）pNR7COR8、芳基磺酰基、芳基磺酰氧基、芳基磺酰C1-6烷基、芳基磺酰胺基、芳基羧酰胺基、芳基磺酰胺基C1-6烷基、芳基羧酰胺基C1-6烷基、芳基、芳基C1-6酰基、—SO2NR7R8、可选择取代的芳基、可选择取代的杂芳基或可选择取代的杂环基，或者是一个CONR7R8或SO2NR7R8基团，其中R7和R8可以共轭形成一个5-7成员的芳香族或非芳香族杂环，该杂环可以被O或S原子打断；R3表示氢或C1-6烷基；Ar表示可选择取代的苯基或可选择取代的单环杂芳基；R4表示可选择取代的芳基或可选择取代的杂芳基；R7和R8各自独立地表示氢、C1-6烷基或共同形成一个5-7成员的杂环；Z表示键，氧原子或C1-6烷基；Y表示氢或C1-6烷基；m和n独立地表示选自1和2的整数；p独立地表示选自0、1、2和3的整数；q表示1至3的整数；r表示1至4的整数；或其药学上可接受的盐或溶剂。这些化合物在治疗中有用，特别是作为抗精神病药物。