Methanesulfonic acid 3-[3-(4-methyl-5-(quinolin-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl ]-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl ester | 427890-15-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methanesulfonic acid 3-[3-(4-methyl-5-(quinolin-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl ]-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl ester
• 英文别名: [3-[3-[(4-Methyl-5-quinolin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl] methanesulfonate
• CAS: 427890-15-1
• 化学式: C₂₆H₂₉N₅O₃S₂
• 分子量: 523.68
• InChiKey: SBDXMNLEIXNDDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Tetrahydrobenzazepine derivatives useful as modulators of dopamine d3 receptors (antipsychotic agents)
  申请人：——

  公开号：US20040171606A1

  公开（公告）日：2004-09-02

  The invention provides compounds of formula (I): wherein: R 2 and R 3 independently represent various substituents; R 1 and R 4 independently represent H, F, Cl, Br, Cl 1-2 alkyl, C 1 alkoxy, OH, CN, or NO 2 ; B represents a sulfur atom or a —CH 2 -group; t represents 3 or 4; and A represents an optionally substituted 5- or 6-membered aromatic heterocyclic ring, or an optionally substituted bicyclic heterocyclic ring system in which at least the ring bound to the group B in Formula (I) is aromatic; or a salt thereof. Preferably, A is selected from one of the groups (i), (ii) or (iii): wherein X 1 and X 2 are independently N or CR 8 , and X 3 is NR 8 , O or S; Y 1 and Y 3 are independently N or CR 9 , and Y 2 is NR 9 , O or S; Z 1 is NR 10 , O or S, and Z 2 and Z 3 are independently N or CR 10 ; R 8 , R 9 , and R 10 are as herein defined, and R 7 is H, a halogen atom, OH, cyano, nitro, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkylenedioxy, C 1-4 alkanoyl, or C 1-4 alkylsulfonyl, an optionally substituted 3-, 4-, 5- or 6-membered cycloalkyl ring, or a group of the formula (a), (b), (c) or (d) as defined by the formulas (a), (b), (c) or (d). The compounds are modulators of dopamine D 3 receptors and have potential in the treatment of psychotic conditions (e.g. schizophrenia) or substance abuse.

  该发明提供了以下式（I）的化合物：其中：R2和R3分别代表各种取代基；R1和R4独立地代表H、F、Cl、Br、Cl1-2烷基、C1烷氧基、OH、CN或NO2；B代表硫原子或—CH2基团；t代表3或4；A代表一个可选择取代的5-或6-成员芳香杂环环，或者一个至少与式（I）中的基团B相结合的环是芳香的可选择取代的双环杂环环系统；或其盐。最好的情况是，A选自以下组之一：其中X1和X2独立地为N或CR8，X3为NR8、O或S；Y1和Y3独立地为N或CR9，Y2为NR9、O或S；Z1为NR10、O或S，Z2和Z3独立地为N或CR10；R8、R9和R10如上所定义，R7为H、卤素原子、OH、氰基、硝基、C1-4烷基、C1-4烷氧基、C1-4烷二氧基、C1-4烷酰基或C1-4烷基磺酰基，一个可选择取代的3-、4-、5-或6-成员环烷基环，或者由式（a）、（b）、（c）或（d）定义的式（a）、（b）、（c）或（d）的基团。这些化合物是多巴胺D3受体调节剂，对治疗精神病性疾病（如精神分裂症）或物质滥用具有潜在作用。
• TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS)
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1335915B1

  公开（公告）日：2008-01-02
• US7429579B2
  申请人：——

  公开号：US7429579B2

  公开（公告）日：2008-09-30