1,4-Diaza-bicyclo<5.3.0>decan-5-on | 16620-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: 1,4-Diaza-bicyclo<5.3.0>decan-5-on
• 英文别名: hexahydro-pyrrolo[1,2-d][1,4]diazepin-2-one；1,3,4,5,7,8,9,9a-Octahydropyrrolo[1,2-d][1,4]diazepin-2-one
• CAS: 16620-89-6
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: QXKAIPFKHPAPLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20080269208A1

  公开（公告）日：2008-10-30

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt or solvate thereof: wherein all variables are defined herein. Also provided are pharmaceutical compositions containing the same and methods for their use in therapy.

  根据本发明提供了一种新的化合物，其化学式为(I)或其药学上可接受的盐或溶剂：其中所有变量均在此定义。还提供了包含该化合物的制药组合物以及在治疗中使用它们的方法。
• Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20110190276A1

  公开（公告）日：2011-08-04

  A method of treatment of anxiety disorders which comprises administering to a host in need thereof an effective amount of a compound of formula (I):

  一种治疗焦虑症的方法，包括向需要治疗的宿主施用公式（I）化合物的有效量。
• Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20100152175A1

  公开（公告）日：2010-06-17

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: X represents a nitrogen atom; Y represents —C(H 2 )—, (—C(H 2 )—) 2 , —S(O 2 )— or —C(═O)—; Z represents —C(H 2 )—, —S(O 2 )—, —N(R z )—, or an oxygen or sulphur atom; A represents hydrogen or —CH 2 OH; R z represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy, —COR 7 or —SO 2 R 7 ; R 1 represents halogen, C 1-6 alkyl, C 1-6 alkoxy, ═O, haloC 1-6 alkyl, haloC 1-6 alkoxy, hydroxyl or —CH 2 OH; m represents an integer from 0 to 3; R 2 represents halogen, ═O, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), —COOR 7 , —CONR 7 R 8 , C 1-6 alkoxy, haloC 1-6 alkyl, haloC 1-6 alkoxy or C 1-6 alkylOC 1-6 alkyl; n represents an integer from 0 to 3; p and q independently represent an integer from 0 to 2; R 3 represents an -aryl, -heteroaryl, -heterocyclyl, -aryl-aryl, -aryl-heteroaryl, -aryl-heterocyclyl, -heteroaryl-aryl, -heteroaryl-heteroaryl, -heteroaryl-heterocyclyl, -heterocyclyl-aryl, -heterocyclyl-heteroaryl or -heterocyclyl-heterocyclyl group, all of which may be optionally substituted by one or more (e.g. 1, 2 or 3) halogen, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), C 3-8 cycloalkyl, C 1-6 alkoxy, hydroxyl, haloC 1-6 alkyl, haloC 1-6 alkoxy, cyano, —S—C 1-6 alkyl, —SO—C 1-6 alkyl, —SO 2 —C 1-6 alkyl, —COR 7 , —CONR 7 R 8 , —NR 7 R 8 , —NR 7 COC 1-6 alkyl, —NR 7 SO 2 —C 1-6 alkyl, C 1-6 alkyl-NR 7 R 8 , —OCONR 7 R 8 , —NR 7 CO 2 R 8 or —SO 2 NR 7 R 8 groups; R 4 and R 5 independently represent C 1-6 alkyl, or R 4 and R 5 together with the carbon atom to which they are attached may together form a C 3-8 cycloalkyl group; R 6 represents halogen, C 1-6 alkyl, C 3-8 cycloalkyl, C 1-6 alkoxy, haloC 1-6 alkyl or haloC 1-6 alkoxy; s represents an integer from 0 to 4; R 7 and R 8 independently represent hydrogen, C 1-6 alkyl or C 3-8 cycloalkyl; or solvates thereof.

  根据本发明提供了式(I)的新化合物或其药学上可接受的盐： 其中， X代表氮原子； Y代表—C(H2)—、(—C(H2)—)2、—S(O2)—或—C(═O)—； Z代表—C(H2)—、—S(O2)—、—N(Rz)—或氧或硫原子； A代表氢或—CH2OH； Rz代表氢、C1-6烷基、C1-6烷氧基、—COR7或—SO2R7； R1代表卤素、C1-6烷基、C1-6烷氧基、═O、haloC1-6烷基、haloC1-6烷氧基、羟基或—CH2OH； m表示从0到3的整数； R2代表卤素、═O、C1-6烷基（可选地被一个或多个羟基取代）、—COOR7、—CONR7R8、C1-6烷氧基、haloC1-6烷基、haloC1-6烷氧基或C1-6烷氧基C1-6烷基； n表示从0到3的整数； p和q独立地表示从0到2的整数； R3代表-芳基、-杂环芳基、-杂环环基、-芳基-芳基、-芳基-杂环芳基、-芳基-杂环环基、-杂环芳基-芳基、-杂环芳基-杂环芳基、-杂环芳基-杂环环基、-杂环环基-芳基、-杂环环基-杂环芳基或-杂环环基-杂环环基基团，所有这些基团都可以选择性地被一个或多个（例如1、2或3个）卤素、C1-6烷基（可选地被一个或多个羟基取代）、C3-8环烷基、C1-6烷氧基、羟基、haloC1-6烷基、haloC1-6烷氧基、氰基、—S—C1-6烷基、—SO—C1-6烷基、—SO2—C1-6烷基、—COR7、—CONR7R8、—NR7R8、—NR7COC1-6烷基、—NR7SO2—C1-6烷基、C1-6烷基-NR7R8、—OCONR7R8、—NR7CO2R8或—SO2NR7R8基团取代； R4和R5独立地代表C1-6烷基，或者R4和R5与它们所连接的碳原子一起可以形成C3-8环烷基； R6代表卤素、C1-6烷基、C3-8环烷基、C1-6烷氧基、haloC1-6烷基或haloC1-6烷氧基； s表示从0到4的整数； R7和R8独立地代表氢、C1-6烷基或C3-8环烷基； 或其溶剂化合物。
• Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof
  申请人：Hardy Larry Wendell

  公开号：US20110319380A1

  公开（公告）日：2011-12-29

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。本文中提供的化合物可用于治疗、预防和/或管理各种疾病，如神经系统疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症。本文提供的化合物在中枢神经系统或外周调节代谢性谷氨酸受体5(mGluR5)的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。
• COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF
  申请人：Sunovion Pharmaceuticals Inc.

  公开号：US20140349992A1

  公开（公告）日：2014-11-27

  Provided herein are compounds and methods of synthesis thereof. The compounds set forth herein are useful for the treatment, prevention, and/or management of various disorders, such as neurological disorders, neurodegenerative disorders, neuropsychiatric disorders, disorders of cognition, learning or memory, gastrointestinal disorders, lower urinary tract disorder, and cancer. Compounds set forth herein modulate the activity of metabotropic glutamate receptor 5 (mGluR5) in the central nervous system or the periphery. Pharmaceutical formulations containing the compounds and their methods of use are also provided herein.

  本文提供了化合物及其合成方法。这些化合物可用于治疗、预防和/或管理各种疾病，如神经疾病、神经退行性疾病、神经精神疾病、认知、学习或记忆障碍、胃肠道疾病、下尿路障碍和癌症等。本文提供的化合物在中枢神经系统或外周调节代谢性谷氨酸受体5 (mGluR5) 的活性。本文还提供了含有这些化合物的药物制剂及其使用方法。