N-[(3R)-1-氮杂双环[2.2.2]辛-3-基]-2-(1-甲基-1H-吲哚-3-基)-2-氧代乙酰胺盐酸盐(1:1) | 143137-35-3

• 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
• 中文名称: N-[(3R)-1-氮杂双环[2.2.2]辛-3-基]-2-(1-甲基-1H-吲哚-3-基)-2-氧代乙酰胺盐酸盐(1:1)
• 英文名称: (RS)-N-(1-azabicyclo[2.2.2]oct-3-yl)-1-methyl-α-oxo-3-indoleacetamide
• 英文别名: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylindol-3-yl)-2-oxoacetamide
• CAS: 143137-35-3
• 化学式: C₁₈H₂₁N₃O₂
• 分子量: 311.384
• InChiKey: ZNAPADWWBWFMCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Alpha-oxoacetamide derivatives
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0490263A1

  公开（公告）日：1992-06-17

  α-Oxoacetamides represented by Formula I wherein R¹ is selected from in which: the dashed line denotes an optional bond; X and Y are independently selected from hydrogen, halo, cyano, hydroxy, lower alkoxy, benzyloxy, lower alkyl, nitro, amino, aminocarbonyl, (lower alkyl)amino, di(lower alkyl)amino, and (lower alkanoyl)amino; Z is -O-, -S- or -N(R⁴)-; and R⁴ and R⁵ are independently selected from hydrogen or lower alkyl or (lower cycloalkyl) lower alkyl or are together -(CH₂)n- wherein n is an integer from 3 to 5; R² is selected from in which: p is 0 or 1; q is 1, 2 or 3; and R⁶ is C₁₋₇ alkyl; and R³ is selected from hydrogen or lower alkyl; their pharmaceutically acceptable salts, individual isomers and mixtures of isomers, processes for their preparation, compositions, and methods of use thereof.

  由式 I 代表的 α-氧代乙酰胺 其中 R¹ 选自 其中 虚线表示任选键； X和Y独立地选自氢、卤素、氰基、羟基、低级烷氧基、苄氧基、低级烷基、硝基、氨基、氨基羰基、(低级烷基)氨基、二(低级烷基)氨基和(低级烷酰基)氨基； Z 是-O-、-S-或-N(R⁴)-；以及 R⁴ 和 R⁵ 独立选自氢或低级烷基或（低级环烷基）低级烷基，或共同为-(CH₂)n-，其中 n 为 3 至 5 的整数； R² 选自 其中 p 是 0 或 1 q 是 1、2 或 3；以及 R⁶ 是 C₁₋₇ 烷基；以及 R³ 选自氢或低级烷基； 它们的药学上可接受的盐、单个异构体和异构体混合物、制备工艺、组合物及其使用方法。
• TREATMENT OF PAIN WITH SEROTONIN-3 RECEPTOR AGONIST
  申请人：Osaka University

  公开号：EP3646886A1

  公开（公告）日：2020-05-06

  The present invention provides a drug for preventing or treating chronic pain and a method for preventing or treating chronic pain. A pharmaceutical composition comprising a serotonin-3 receptor agonist such as a compound represented by the following formula (I): [wherein: m is an integer of 1 to 4; and R1 is each independently selected from the group consisting of a hydrogen atom, a halogen atom, a methyl group optionally substituted with 1 to 3 halogen atom(s), a methoxy group optionally substituted with 1 to 3 halogen atom(s), and a methylthio group optionally substituted with 1 to 3 halogen atom(s)] or a pharmaceutically acceptable salt thereof is useful for preventing or treating chronic pain. The above pharmaceutical composition is also useful for preventing or treating acute pain. Further, the present invention provides a method for screening a compound for preventing or treating chronic pain, the method comprising measuring a serotonin-3 receptor agonist activity.

  本发明提供了一种预防或治疗慢性疼痛的药物和一种预防或治疗慢性疼痛的方法。一种药物组合物，包含血清素-3 受体激动剂，例如由下式（I）代表的化合物： [其中：m 为 1 至 4 的整数；且 R1 各自独立地选自由氢原子、卤素原子、任选被 1 至 3 个卤素原子取代的甲基、任选被 1 至 3 个卤素原子取代的甲氧基和任选被 1 至 3 个卤素原子取代的甲硫基组成的组]或其药学上可接受的盐，可用于预防或治疗慢性疼痛。上述药物组合物也可用于预防或治疗急性疼痛。此外，本发明还提供了一种用于筛选预防或治疗慢性疼痛的化合物的方法，该方法包括测定5-羟色胺-3受体激动剂的活性。
• JPH04290884A
  申请人：——

  公开号：JPH04290884A

  公开（公告）日：1992-10-15
• US5192770A
  申请人：——

  公开号：US5192770A

  公开（公告）日：1993-03-09
• [EN] 5-HT3 RECEPTOR ANTAGONISTS FOR TREATMENT OF DISORDERS INVOLVING AIRWAY CONSTRICTION<br/>[FR] ANTAGONISTES DU RECEPTEUR 5-HT3 DESTINES AU TRAITEMENT DE TROUBLES ENGLOBANT LA CONSTRICTION DES VOIES AERIENNES
  申请人：RESPIRATORIUS AB

  公开号：WO2001095903A1

  公开（公告）日：2001-12-20

  The present invention relates to a compound having antagonist activity to the 5-HT3 receptor for use as a medicament and to the use of said compound in the manufacture of a medicament for use in therapeutic or prophylactic treatment of disorders involving airway constriction of a human or animal body, as well as methods of treatment, wherein said compounds are administered.