2,3,4,5-Tetrahydro-1H-3-benzazepine-7-sulfonic acid dimethylamide | 427891-88-1

• 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: 2,3,4,5-Tetrahydro-1H-3-benzazepine-7-sulfonic acid dimethylamide
• 英文别名: N,N-dimethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonamide；N,N-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
• CAS: 427891-88-1
• 化学式: C₁₂H₁₈N₂O₂S
• 分子量: 254.353
• InChiKey: YULQTSGYQANQLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 2,3,4,5-Tetrahydro-1H-3-benzazepine-7-sulfonic acid dimethylamide
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071

文献信息

• TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS)
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1335915A2

  公开（公告）日：2003-08-20
• US7429579B2
  申请人：——

  公开号：US7429579B2

  公开（公告）日：2008-09-30
• US9035059B2
  申请人：——

  公开号：US9035059B2

  公开（公告）日：2015-05-19
• [EN] TETRAHYDROBENZAZEPINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS)<br/>[FR] DERIVES DE TETRAHYDROBENZAZEPINE UTILES EN TANT QUE MODULATEURS DES RECEPTEURS D3 DE LA DOPAMINE (AGENTS ANTIPSYCHOTIQUES)
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002040471A2

  公开（公告）日：2002-05-23

  The invention provides compounds of formula (I), wherein R1-R4, A, B and t are as defined in claim 1. The compounds are modulators of dopamine D¿3? receptors and have potential in the treatment of psychotic conditions (e.g. schizophrenia) or substance abuse.