tert-butyl N-[1-(2-oxoethyl)cyclohexyl]carbamate | 1335042-28-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-[1-(2-oxoethyl)cyclohexyl]carbamate
• CAS: 1335042-28-8
• 化学式: C₁₃H₂₃NO₃
• 分子量: 241.33
• InChiKey: OFUFLFMPZVVWTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Tetrahydroisoquinoline derivatives as modulators of dopamine D3 receptors
  申请人：SmithKline Beecham, p.l.c.

  公开号：US20030191314A1

  公开（公告）日：2003-10-09

  Compounds of formula (I): 1 wherein: R 1 represents a substituent selected from: a hydrogen or halogen atom; a hydroxy, cyano, nitro, trifluoromethyl, trifluoromethoxy, trifluoromethanesulfonyloxy, pentafluoroethyl, C 1-4 alkyl, C 1-4 alkoxy, arylC 1-4 alkoxy, C 1-4 alkylthio, C 1-4 alkoxyC 1-4 alkyl, C 3-6 cycloalkylC 1-4 alkoxy, C 1-4 alkanoyl, C 1-4 alkoxycarbonyl, C 1-4 alkylsulfonyl, C 1-4 alkylsulfonyloxy, C 1-4 alkylsulfonylC 1-4 alkyl, arylsulfonyl, arylsulfonyloxy, arylsulfonylC 1-4 alkyl, C 1-4 alkylsulfonamido, C 1-4 alkylamido, C 1-4 alkylsulfonamidoC 1-4 alkyl, C 1-4 alkylamidoC 1-4 alkyl, arylsulfonamido, arylcarboxamido, arylsulfonamidoC 1-4 alkyl, arylcarboxamidoC 1-4 alkyl, aroyl, aroylC 1-4 alkyl, or arylC 1-4 alkanoyl group; a group R 3 OCO(CH 2 ) p , R 3 CON(R 4 )(CH 2 ) p , R 3 R 4 NCO(CH 2 ) p or R 3 R 4 NSO 2 (CH 2 ) p where each of R 3 and R 4 independently represents a hydrogen atom or a C 1-4 alkyl group or R 3 R 4 forms part of a C 3-6 azacyloalkane or C 3-6 (2-oxo)azacycloalkane ring and p represents zero or an integer from 1 to 4; or a group Ar 1 —Z, wherein Ar 1 represents an optionally substituted phenyl ring or an optionally substituted 5- or 6-membered aromatic heterocyclic ring and Z represents a bond, O, S , or CH 2 ; R 2 represents a hydrogen atom or a C 1-4 alkyl group; q is 1 or 2; A represents a group of formula (a) or (b) 2 wherein T, U, V and Y independently represent CH or a nitrogen atom; R 5 is a group selected from: a hydrogen or halogen atom, cyano, C 1-4 alkyl or C 1-4 alkoxy group s is 1 or 2. Ar 2 represents an optionally substituted phenyl ring or an optionally substituted 5- or 6-membered aromatic heterocyclic ring; and salts thereof. The compounds are useful for the treatment of conditions which require modulaton of a dopamine receptor such as schizophrenia.

  式(I)的化合物：其中：R1代表从中选择的取代基：氢或卤素原子；羟基、氰基、硝基、三氟甲基、三氟甲氧基、三氟甲磺酰氧基、五氟乙基、C1-4烷基、C1-4烷氧基、芳基C1-4烷氧基、C1-4烷硫基、C1-4烷氧基C1-4烷基、C3-6环烷基C1-4烷氧基、C1-4烷酰基、C1-4烷氧羰基、C1-4烷基磺基、C1-4烷基磺酰氧基、C1-4烷基磺基C1-4烷基、芳基磺基、芳基磺酰氧基、芳基磺基C1-4烷基、C1-4烷基磺酰胺基、C1-4烷基酰胺基、C1-4烷基磺酰胺基C1-4烷基、C1-4烷基酰胺基C1-4烷基、芳基磺酰胺基、芳基羧酰胺基、芳基磺酰胺基C1-4烷基、芳基羧酰胺基C1-4烷基、芰基、芰基C1-4烷基或芳基C1-4烷酰基；R3OCO(CH2)p、R3CON(R4)( )p、R3R4NCO( )p或R3R4NSO2( )p中的一种，其中R3和R4各自独立地代表氢原子或C1-4烷基或R3R4构成C3-6氮代环烷烃或C3-6(2-氧代)氮代环烷烃环的一部分，p表示零或1至4之间的整数；或Ar1—Z中的一种，其中Ar1代表可选择取代的苯环或可选择取代的5-或6-成员芳香杂环环，Z代表键，O，S或 ；R2代表氢原子或C1-4烷基；q为1或2；A代表式(a)或(b)的基团，其中T、U、V和Y分别独立地表示CH或氮原子；R5是从中选择的基团：氢或卤素原子、氰基、C1-4烷基或C1-4烷氧基；Ar2代表可选择取代的苯环或可选择取代的5-或6-成员芳香杂环环；及其盐。这些化合物可用于治疗需要调节多巴胺受体的疾病，如精神分裂症。
• [EN] (THIO) CARBAMOYL-CYCLOHEXANE DERIVATIVES AS D3/D2 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE (THIO) CARBAMOYL-CYCLOHEXANE UTILISES EN TANT QU'ANTAGONISTES DES RECEPTEURS D3/D2
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2005012266A1

  公开（公告）日：2005-02-10

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R1 and R2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R1 and R2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及新的D3和D2多巴胺受体亚型偏好配体，其化学式为（I）：其中R1和R2分别代表氢，烷基，芳基，环烷基，芳香酰基的取代基，或者R1和R2可以与相邻的氮原子形成杂环；X代表氧或硫原子；n为1至2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的方法，包含它们的制药组合物以及在需要调节多巴胺受体的情况下用于治疗和/或预防的用途。
• [EN] NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR AGONISTS<br/>[FR] DERIVES DE SULFONAMIDE TENANT LIEU D'AGONISTES VIS-A-VIS DU RECEPTEUR D3 DE LA DOPAMINE
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2003029233A1

  公开（公告）日：2003-04-10

  The present invention relates to new D3 dopamine receptor subtype selectice ligands of formula (I) to pharmacological compositions containing the same and to their us in therapy and/or prevention of psychoses (e.g. schizophrenia, schizo-affective disorders, etc), drug (e.g. alcohol, cocaine and nicotine, opioids etc.) abuse, cognitive impairment accompanying schizophrenia, mild-to-moderate cognitive deficits, amnesia, eating disorders (e.g. bulimia nervosa, etc.), attention deficit disorders, hyperactivity disorders in children, psychotic depression, mania, paranoid and delusional disorders, dyskinetic disorders (e.g. Parkinson's diseases, neuroleptic induced Parkinson's desases, tardive dyskinesias) anxiety, sexual dysfunction, sleep disorders, emesis, aggression, autism, pain ophthalmological diseases (e.g. glaucoma etc.).

  本发明涉及公式（I）的新的D3多巴胺受体亚型选择性配体，以及包含它们的药理组合物，以及它们在治疗和/或预防精神病（如精神分裂症，分裂情感障碍等），药物（如酒精，可卡因和尼古丁，阿片类等）滥用，伴随精神分裂症的认知障碍，轻度至中度的认知缺陷，遗忘症，饮食障碍（如暴食神经症等），注意力缺陷障碍，儿童多动症，精神病性抑郁症，躁狂症，偏执和妄想障碍，运动障碍（如帕金森病，神经阻滞剂引起的帕金森病，迟发性运动障碍），焦虑，性功能障碍，睡眠障碍，呕吐，攻击性，自闭症，疼痛眼科疾病（如青光眼等）中的使用。
• (THIO) Carbamoyl-Cyclohexane Derivatives as D3/D2 Receptor Antagonists
  申请人：Csongor Eva Againe

  公开号：US20100240640A1

  公开（公告）日：2010-09-23

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R 1 and R 2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R 1 and R 2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及一种新的D3和D2多巴胺受体亚型偏好配体，其化学式为（I）：其中R1和R2分别表示从氢，烷基，芳基，环烷基，芳酰基中选择的取代基，或者R1和R2可以与相邻的氮原子形成杂环；X表示氧或硫原子；n是1到2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的过程，含有它们的制药组合物以及它们在治疗和/或预防需要调节多巴胺受体的疾病中的应用。
• (THIO) Carbamoyl-cyclohexane derivatives as D3/D2 receptor antagonists
  申请人：Csongor Againe Eva

  公开号：US20060229297A1

  公开（公告）日：2006-10-12

  The present invention relates to new D3 and D2 dopamine receptor subtype preferring ligands of formula (I): wherein R 1 and R 2 represent independently a substituent selected from hydrogen, alkyl, aryl, cycloalkyl, aroyl, or R 1 and R 2 may form a heterocyclic ring with the adjacent nitrogen atom; X represents an oxygen or sulphur atom; n is an integer of from 1 to 2, and/or geometric isomers and/or stereoisomers and/or diastereomers and/or salts and/or hydrates and/or solvates thereof, to the processes for producing the same, to pharmaceutical compositions containing the same and to their use in therapy and/or prevention of a condition which requires modulation of dopamine receptors.

  本发明涉及公式（I）的新的D3和D2多巴胺受体亚型偏好配体，其中R1和R2分别表示从氢，烷基，芳基，环烷基，芳香基或R1和R2可以与相邻的氮原子形成杂环环；X表示氧原子或硫原子；n为1到2的整数，以及它们的几何异构体和/或立体异构体和/或对映异构体和/或盐和/或水合物和/或溶剂化物，以及制备它们的过程，含有它们的制药组合物以及它们在调节多巴胺受体所需的治疗和/或预防疾病中的使用。