tert-butyl 6-methyl-8-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-1(2H)-yl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)-carboxylate | 1260494-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: tert-butyl 6-methyl-8-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-1(2H)-yl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)-carboxylate
• 英文别名: tert-butyl 6-methyl-8-[2-oxo-4-[6-(trifluoromethyl)pyridin-3-yl]pyrimidin-1-yl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate
• CAS: 1260494-35-6
• 化学式: C₂₈H₂₈F₃N₅O₃
• 分子量: 539.557
• InChiKey: VPJSEVBKDVCKRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl 6-methyl-8-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-1(2H)-yl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)-carboxylate 在 盐酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 14.0h， 以94%的产率得到1-(6-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)-4-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-2(1H)-one hydrochloride
  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：

  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、焦虑、抑郁、非酒精性脂肪肝病和精神疾病。本发明还描述了制备这些化合物的方法。

  公开号：

  US20110003793A1
• 作为产物：
  描述：

  tert-butyl 8-bromo-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-3-carboxylate 在 8-羟基喹啉 、 sodium hydride 、 caesium carbonate 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.5h， 生成 tert-butyl 6-methyl-8-(2-oxo-4-(6-(trifluoromethyl)pyridin-3-yl)pyrimidin-1(2H)-yl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3(6H)-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：

  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、焦虑、抑郁、非酒精性脂肪肝病和精神疾病。本发明还描述了制备这些化合物的方法。

  公开号：

  US20110003793A1

文献信息

• Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof
  申请人：Guzzo Peter R.

  公开号：US08637501B2

  公开（公告）日：2014-01-28

  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.

  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。
• AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF
  申请人：Albany Molecular Research, Inc.

  公开号：EP2448585B1

  公开（公告）日：2014-01-01
• US8637501B2
  申请人：——

  公开号：US8637501B2

  公开（公告）日：2014-01-28
• [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.
• AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF
  申请人：Guzzo Peter R.

  公开号：US20110003793A1

  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.

  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、焦虑、抑郁、非酒精性脂肪肝病和精神疾病。本发明还描述了制备这些化合物的方法。