butyl (10R,15S)-12-[4-(4-fluorophenyl)-4-oxobutyl]-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-4-carboxylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: butyl (10R,15S)-12-[4-(4-fluorophenyl)-4-oxobutyl]-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-4-carboxylate
• 化学式: C₂₈H₃₄FN₃O₃
• 分子量: 479.6
• InChiKey: YZIPKSIMYNAKIQ-ZEQRLZLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：INTRA CELLULAR THERAPIES INC

  公开号：WO2014145192A1

  公开（公告）日：2014-09-18

  The invention relates to particular substituted heterocycle fused gamma-carbolines, their prodrugs, in free, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases involving 5-HT2A receptor, serotonin transporter (SERT) and/or pathways involving dopamine D2 receptor signaling systems.

  该发明涉及特定的取代杂环融合的γ-咖啡碱，其前药，以自由的、药学上可接受的盐和/或基本纯净形式描述，以及其药物组合物，以及在治疗涉及5-HT2A受体、5-羟色胺转运体（SERT）和/或涉及多巴胺D2受体信号系统的疾病中的使用方法。
• ORGANIC COMPOUNDS
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US20160031885A1

  公开（公告）日：2016-02-04

  The invention relates to particular substituted heterocycle fused gamma-carbolines, their prodrugs, in free, pharmaceutically acceptable salt and/or substantially pure form as described herein, pharmaceutical compositions thereof, and methods of use in the treatment of diseases involving 5-HT 2A receptor, serotonin transporter (SERT) and/or pathways involving dopamine D 2 receptor signaling systems.

  本发明涉及特定的取代杂环融合的γ-咔啉，它们的前药，以自由的、药学上可接受的盐和/或基本纯净形式描述的药物组成物，以及它们在涉及5-HT2A受体、血清素转运体（SERT）和/或多巴胺D2受体信号通路的疾病治疗中的使用方法。
• Pharmaceutical compositions comprising 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-1-(4-fluorophenyl) butan-1-one for inhibiting serotonin reuptake transporter activity
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US10472359B2

  公开（公告）日：2019-11-12

  The invention relates to pharmaceutical compositions comprising 4-((6bR,10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-1-(4-fluorophenyl)butan-1-one in toluenesulfonic acid addition salt form: and methods of use in the treatment of diseases involving the 5-HT2A receptor pathway, the serotonin transporter (SERT) pathway and/or the dopamine D2 receptor pathway signaling systems.

  本发明涉及包含甲苯磺酸加成盐形式的 4-((6bR,10aS)-3-甲基-2,3,6b,9,10,10a-六氢-1H,7H-吡啶并[3′,4′:4,5]吡咯并[1,2,3-de]喹喔啉-8-基)-1-(4-氟苯基)丁-1-酮的药物组合物： 以及用于治疗涉及 5-HT2A 受体通路、5-羟色胺转运体 (SERT) 通路和/或多巴胺 D2 受体通路信号系统的疾病的方法。
• Pharmaceutical compositions comprising 4-(6BR,10AS)-3-methyl-2,3,6B,9,10,10A-hexahydro-1h, 7H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-1-(4-fluorophenyl)butan-1-one and methods of treating conditions of the central nervous system
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US10844061B2

  公开（公告）日：2020-11-24

  The invention relates to pharmaceutical compositions comprising compounds of Formula Q: wherein W is N(H)—, or —N(CH3)—, and Y is —C(═O)— or —O—, in free base or pharmaceutically acceptable salt form, and methods of use in the treatment of diseases involving 5-HT2A receptor, serotonin transporter (SERT) pathway and/or the dopamine D2 receptor pathway, and methods of treating conditions of the central nervous system therewith.

  本发明涉及由式 Q 化合物组成的药物组合物： 其中W为N(H)-或-N(CH3)-，Y为-C(═O)-或-O-，以游离碱或药学上可接受的盐形式存在，以及用于治疗涉及5-HT2A受体、5-羟色胺转运体(SERT)途径和/或多巴胺D2受体途径的疾病的方法，以及用其治疗中枢神经系统疾病的方法。
• PHARMACEUTICAL COMPOSITIONS COMPRISING 4-(6Br,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-lH,7H-PYRIDO[3',4':4,5]PYRROLO[l,2,3-de] QUIN OX ALIN - 8 - YL) -1 -(4-FLU OROPHEN YL) -BUT ANE-1 - ONE AND METHODS OF TREATING CONDITIONS OF THE CENTRAL NERVOUS SYSTEM
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US20200102310A1

  公开（公告）日：2020-04-02

  The invention relates to pharmaceutical compositions comprising 4-((6bR,10aS)-3-methyl -2,3,6b,9,10,10a-hexahydro-1H,7H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8-yl)-1-(4 -fluorophenyl)-butan-1-one, and methods of use in the treatment of diseases involving 5-HT 2A receptor, serotonin transporter (SERT) pathway and/or the dopamine D 2 receptor pathway, and methods of treating conditions of the central nervous system therewith.