3-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one Trifluoroacetate | 345963-03-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one Trifluoroacetate
• 英文别名: 3-Benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one Trifluoroacetate；3-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;2,2,2-trifluoroacetic acid
• CAS: 345963-03-3
• 化学式: C₂HF₃O₂*C₂₀H₂₃N₃O
• 分子量: 435.446
• InChiKey: RZBARFRFXZLSDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-benzyl-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 异丙醚 为溶剂， 以91%的产率得到3-Benzyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one Trifluoroacetate
  参考文献：
  名称：

  Phenoxyalkylamine derivatives useful as opioid receptor agonists

  摘要：

  一种用于预防和/或治疗神经系统疾病的药物，其活性成分为以下通用式（I）或其药理学可接受的盐所代表的化合物： 其中，X代表以下通用式（II）、（III）、（IV）、（V）或（VI）所代表的基团，“A”代表饱和或不饱和的3-至6-成员碳环基团等，“B”代表CH2等，“n”代表0至2，R1代表氢原子、卤素原子等，R2、R3和R7至R14代表氢原子、可能被取代的较低烷基基团等，R4代表氢原子、可能被取代的较低烷基基团等，R5代表氢原子、卤素原子等，R6代表饱和或不饱和的单环或双环碳环基团等，且R5和R6、R7和R8、R9和R10，或R11和R12可以结合在一起形成环状结构。

  公开号：

  US20030171370A1

文献信息

• Phenoxyalkylamine derivatives useful as opioid delta receptor ligands
  申请人：Tsushima Masaki

  公开号：US20050148583A1

  公开（公告）日：2005-07-07

  A medicament useful for preventive and/or therapeutic treatment of nerve system diseases which comprises, as an active ingredient, a compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof: wherein, X represents a group represented by the following general formula (II), (III), (IV), (V), or (VI), “A” represents a saturated or unsaturated 3- to 6-membered carbocyclic group and the like, “B” represents CH 2 and the like, “n” represents 0 to 2, R 1 represents a hydrogen atom, a halogen atom and the like, R 2 , R 3 , and R 7 to R 14 represent a hydrogen atom, a lower alkyl group which may be substituted and the like, R 4 represents a hydrogen atom, a lower alkyl group which may be substituted and the like, R 5 represents a hydrogen atom, a halogen atom and the like, R 6 represents a saturated or unsaturated monocyclic or bicyclic carbocyclic group and the like, and R 5 and R 6 , R 7 and R 8 , R 9 and R 10 , or R 11 and R 12 may bind to each other to form a cyclic structure.

  一种用于神经系统疾病的预防和/或治疗的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐作为活性成分： 其中，X代表以下通式（II），（III），（IV），（V）或（VI）所表示的基团，“A”代表饱和或不饱和的3-至6-成员的碳环基团等，“B”代表CH2等，“n”代表0至2，“R1”代表氢原子，卤原子等，“R2”，“R3”和“R7”至“R14”代表氢原子，可被取代的较低烷基基团等，“R4”代表氢原子，可被取代的较低烷基基团等，“R5”代表氢原子，卤原子等，“R6”代表饱和或不饱和的单环或双环碳环基团等，“R5”和“R6”，“R7”和“R8”，“R9”和“R10”，或“R11”和“R12”可以结合在一起形成环状结构。
• Phenoxyalkylamine derivatives useful as opioid δ receptor agonists
  申请人：Tsushima Masaki

  公开号：US06916822B2

  公开（公告）日：2005-07-12

  A medicament useful for preventive and/or therapeutic treatment of nerve system diseases which comprises, as an active ingredient, a compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof: wherein, X represents a group represented by the following general formula (II), (III), (IV), (V), or (VI), “A” represents a saturated or unsaturated 3- to 6-membered carbocyclic group and the like, “B” represents CH 2 and the like, “n” represents 0 to 2, R 1 represents a hydrogen atom, a halogen atom and the like, R 2 , R 3 , and R 7 to R 14 represent a hydrogen atom, a lower alkyl group which may be substituted and the like, R 4 represents a hydrogen atom, a lower alkyl group which may be substituted and the like, R 5 represents a hydrogen atom, a halogen atom and the like, R 6 represents a saturated or unsaturated monocyclic or bicyclic carbocyclic group and the like, and R 5 and R 6 , R 7 and R 8 , R 9 and R 10 , or R 11 and R 12 may bind to each other to form a cyclic structure.

  一种用于预防和/或治疗神经系统疾病的药物，其包含以下通式（I）或其药学上可接受的盐作为活性成分的化合物： 其中，X表示以下通式（II）、（III）、（IV）、（V）或（VI）表示的基团，“A”表示饱和或不饱和的3-至6-成员的碳环基团等，“B”表示CH2等，“n”表示0至2，R1表示氢原子、卤原子等，R2、R3和R7至R14表示氢原子、可被取代的较低烷基基团等，R4表示氢原子、可被取代的较低烷基基团等，R5表示氢原子、卤原子等，R6表示饱和或不饱和的单环或双环碳环基团等，并且R5和R6、R7和R8、R9和R10或R11和R12可以结合在一起形成环状结构。
• PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1256575B1

  公开（公告）日：2005-08-17
• US6916822B2
  申请人：——

  公开号：US6916822B2

  公开（公告）日：2005-07-12
• Phenoxyalkylamine derivatives useful as opioid receptor agonists
  申请人：——

  公开号：US20030171370A1

  公开（公告）日：2003-09-11

  A medicament useful for preventive and/or therapeutic treatment of nerve system diseases which comprises, as an active ingredient, a compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof: 1 wherein, X represents a group represented by the following general formula (II), (III), (IV), (V), or (VI), 2 “A” represents a saturated or unsaturated 3- to 6-membered carbocyclic group and the like, “B” represents CH 2 and the like, “n” represents 0 to 2, R 1 represents a hydrogen atom, a halogen atom and the like, R 2 , R 3 , and R 7 to R 14 represent a hydrogen atom, a lower alkyl group which may be substituted and the like, R 4 represents a hydrogen atom, a lower alkyl group which may be substituted and the like, R 5 represents a hydrogen atom, a halogen atom and the like, R 6 represents a saturated or unsaturated monocyclic or bicyclic carbocyclic group and the like, and R 5 and R 6 , R 7 and R 8 , R 9 and R 10 , or R 11 and R 12 may bind to each other to form a cyclic structure.

  一种用于预防和/或治疗神经系统疾病的药物，其活性成分为以下通用式（I）或其药理学可接受的盐所代表的化合物： 其中，X代表以下通用式（II）、（III）、（IV）、（V）或（VI）所代表的基团，“A”代表饱和或不饱和的3-至6-成员碳环基团等，“B”代表CH2等，“n”代表0至2，R1代表氢原子、卤素原子等，R2、R3和R7至R14代表氢原子、可能被取代的较低烷基基团等，R4代表氢原子、可能被取代的较低烷基基团等，R5代表氢原子、卤素原子等，R6代表饱和或不饱和的单环或双环碳环基团等，且R5和R6、R7和R8、R9和R10，或R11和R12可以结合在一起形成环状结构。