((S)-2-((1H-indol-7-yl)methyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)((R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone | 1308338-49-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ((S)-2-((1H-indol-7-yl)methyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)((R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
• 英文别名: [(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(3S)-2-(1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
• CAS: 1308338-49-9
• 化学式: C₃₁H₃₃N₃O₃
• 分子量: 495.621
• InChiKey: REOQIBJQRLZHRJ-HRFSGMKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• [EN] HETEROCYLIC COMPOUNDS AS ANTAGONISTS OF THE OREXIN RECEPTORS<br/>[FR] COMPOSÉS HÉTÉROCYLIQUES EN TANT QU'ANTAGONISTES DES RÉCEPTEURS D'OREXINE
  申请人：ORGANON NV

  公开号：WO2011061318A1

  公开（公告）日：2011-05-26

  The present invention relates to a heterocyclic derivative according to formula (I) wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to a pharmaceutical composition comprising said heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of disorders or diseases influenced by modulation of orexins, such as sleep disorders.

  本发明涉及一种杂环衍生物，其化学式为（I），其中变量如规范中所定义，或其药学上可接受的盐或溶剂，本发明还涉及包括所述杂环衍生物的药物组合物，以及它们在治疗中的使用，例如在调节促食素影响的紊乱或疾病的治疗或预防中，如睡眠障碍。
• HETEROCYCLIC DERIVATIVES
  申请人：Bingham Matilda Jane

  公开号：US20120258957A1

  公开（公告）日：2012-10-11

  The present invention relates to a heterocyclic derivative according to formula I wherein the variables are defined as in the specification, or to a pharmaceutically acceptable salt or solvate thereof. The present invention also relates to a pharmaceutical composition comprising said heterocyclic derivatives and to their use in therapy, for instance in the treatment or prevention of disorders or diseases influenced by modulation of orexins, such as sleep disorders.

  本发明涉及公式I所示的杂环衍生物，其中变量如规范中所定义，或其药学上可接受的盐或溶剂。本发明还涉及包含所述杂环衍生物的制药组合物，以及它们在治疗中的使用，例如在调节促进睡眠的荷尔蒙方面影响的疾病或疾病的治疗或预防。