tert-butyl 6-methyl-8-(2-oxo-4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate | 1260494-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: tert-butyl 6-methyl-8-(2-oxo-4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
• 英文别名: tert-butyl 6-methyl-8-[2-oxo-4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1,3,4,5-tetrahydroazepino[4,3-b]indole-2-carboxylate
• CAS: 1260494-37-8
• 化学式: C₂₉H₃₇N₅O₃
• 分子量: 503.644
• InChiKey: KYAJMKSQQPUQAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl 8-bromo-6-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate 、 4-(2-(pyridin-2-yl)ethyl)piperazin-2-one 以to provide the title compound (52 mg, 20%) as a white solid的产率得到tert-butyl 6-methyl-8-(2-oxo-4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
  参考文献：
  名称：

  Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof

  摘要：

  本发明揭示了新型MCH-1受体拮抗剂。这些化合物用于治疗各种疾病，包括肥胖症、焦虑、抑郁、非酒精性脂肪肝病和精神障碍。本发明还描述了制备这些化合物的方法。

  公开号：

  US08637501B2

文献信息

• [EN] AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF<br/>[FR] ANTAGONISTES DE MCH-1 D’AZÉPINO[B]INDOLE ET PYRIDO-PYRROLO-AZÉPINE AZINONE-SUBSTITUÉ, PROCÉDÉS DE PRÉPARATION, ET UTILISATION DE CEUX-CI
  申请人：ALBANY MOLECULAR RES INC

  公开号：WO2011003005A1

  公开（公告）日：2011-01-06

  Novel MCH-1 receptor antagonists are disclosed. These compounds are used in the treatment of various disorders, including obesity, anxiety, depression, non-alcoholic fatty liver disease, and psychiatric disorders. Methods of making these compounds are also described in the present invention.