4-(3-benzoylamino-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester | 861106-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4-(3-benzoylamino-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-(3-benzamido-2-cyanophenyl)piperazine-1-carboxylate
• CAS: 861106-13-0
• 化学式: C₂₃H₂₆N₄O₃
• 分子量: 406.484
• InChiKey: DAXRWZOUPNQURF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM<br/>[FR] DERIVES DE 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE ET DERIVES DE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXYDE ET DE 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE RESPECTIFS, UTILISES COMME MODULATEURS DU RECEPTEUR DE LA 5-HYDROXYTRYPTAMINE (5-HT) POUR LE TRAITEMENT D'AFFECTIONS DU SYSTEME NERVEUX CENTRAL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005067933A1

  公开（公告）日：2005-07-28

  The invention relates to substituted quinazolinone compunds of formula (I) or a pharmaceutically acceptable salt thereof, wherein Y is C or S; m is 1 when Y is C and m is 2 when Y is S; n is 1 or 2; p is from 0 to 3; q is from 1 to 3; Z is -(CRaRb)r- or -SO2-, wherein r is from 0 to 2 and each of Ra and Rb is independently hydrogen or alkyl; X is CH or N; R2 is optionally substituted aryl or optionally substituted heteroaryl; preferably R2 is aryl, and more preferably phenyl optionally substituted by one or more trifluoromethyl, halo, cyano, C1-C6 alkyl or C1-C6 alkoxy; A is -NR3- or -O- wherein R3 is: hydrogen; alkyl, acyl, amidoalkyl, hydroxyalkyl or alkoxyalkyl; the other substituents are defined in the claims. The compounds are modulators of the 5-hydroxytryptamine receptor and are useful for the treatment of diseases of the central nervous system such as psychoses, schizophrenia, manic depressions, neurological disorders, memory disorders, attention deficit disorder, Parkinson’s disease, amyotrophic lateral sclerosis, Alzheimer’s disease, food uptake disorders, and Huntington’s disease.

  该发明涉及式(I)的取代喹唑啉酮化合物或其药学上可接受的盐，其中Y为C或S；当Y为C时，m为1，当Y为S时，m为2；n为1或2；p为0到3；q为1到3；Z为-(CRaRb)r-或-SO2-，其中r为0到2，Ra和Rb各自独立地为氢或烷基；X为CH或N；R2为可选择地取代的芳基或可选择地取代的杂环烷基；优选R2为芳基，更优选为苯基，可选地取代为一个或多个三氟甲基，卤素，氰基，C1-C6烷基或C1-C6烷氧基；A为-NR3-或-O-，其中R3为：氢；烷基，酰基，酰胺烷基，羟基烷基或烷氧基烷基；其他取代基在权利要求中定义。这些化合物是5-羟色胺受体的调节剂，可用于治疗中枢神经系统疾病，如精神病、精神分裂症、躁郁症、神经系统疾病、记忆障碍、注意力缺陷障碍、帕金森病、肌萎缩侧索硬化症、阿尔茨海默病、摄食障碍和亨廷顿病。
• Quinazolinone and benzoxazinone derivatives and uses thereof
  申请人：Krauss Elisabeth Nancy

  公开号：US20050165001A1

  公开（公告）日：2005-07-28

  The invention provides compounds of the formula I: and pharmaceutically acceptable salts or prodrugs thereof, wherein m, n, p, q, X, Y, Z, A, R 1 , R 2 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are as defined herein. The invention also provides methods for preparing, compositions comprising, and methods for using compounds of formula I.

  该发明提供了公式I的化合物及其药学上可接受的盐或前药，其中m，n，p，q，X，Y，Z，A，R1，R2，R4，R5，R6，R7，R8，R9和R10如本文所定义。该发明还提供了制备公式I化合物的方法，包含公式I化合物的组合物的方法以及使用公式I化合物的方法。
• 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM
  申请人：F. Hoffmann-la Roche AG

  公开号：EP1708713B1

  公开（公告）日：2008-03-12
• US7196087B2
  申请人：——

  公开号：US7196087B2

  公开（公告）日：2007-03-27
• US7365063B2
  申请人：——

  公开号：US7365063B2

  公开（公告）日：2008-04-29