1-[(3,4-Dichlorophenyl)acetyl]-2-[(1,4-dioxa-8-azaspiro [4,5]dec-8-yl)methyl]piperidine maleate | 138155-26-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-[(3,4-Dichlorophenyl)acetyl]-2-[(1,4-dioxa-8-azaspiro [4,5]dec-8-yl)methyl]piperidine maleate
• 英文别名: (Z)-but-2-enedioic acid;2-(3,4-dichlorophenyl)-1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)piperidin-1-yl]ethanone
• CAS: 138155-26-7
• 化学式: C₄H₄O₄*C₂₁H₂₈Cl₂N₂O₃
• 分子量: 543.444
• InChiKey: WEPPVAHCQUUWPQ-BTJKTKAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Heterocyclic compounds
  申请人：GLAXO GROUP LIMITED

  公开号：EP0330467A1

  公开（公告）日：1989-08-30

  Compounds are disclosed of formula (I) wherein Ra, Rb, Rc and Rd represent hydrogen atoms or Ra and Rc together form a bond and Rb and Rd together form -CH=CH-CH=CH-; -N represents a 5-membered (optionally containing an oxygen atom adjacent to the nitrogen) or a 6-membered ring, which ring optionally contains one unit of unsaturation and which is unsubstituted or substituted by hydroxy, hydroxymethyl, oxo, optionally substituted methylidene, -COR1 (where R1 is C1-6 alkyl, -OR2 or -NHR2, and R2 is hydrogen, C1-6 alkyl, aryl or ar(Ci-6)alkyl) or =NOR3 (where R3 is G1-6 alkyl); X represents a direct bond, -CH2- or -CH20-; Ar represents a substituted phenyl moiety (provided that when -N does not contain an oxygen atom and is unsubstituted, Ar contains more than one unsaturated ring); and physiologically acceptable salts and solvates thereof. The compounds are indicated as useful for the treatment of pain and cerebral ischaemia. Processes and intermediates for their preparation and pharmaceutical compositions containing them are also disclosed.

  该化合物的化学式为（I），其中Ra、Rb、Rc和Rd代表氢原子或者Ra和Rc一起形成键，Rb和Rd一起形成-CH=CH-CH=CH-；-N代表一个5元环（可选地在氮原子旁边含有一个氧原子）或一个6元环，该环可选地含有一个不饱和单位，未被取代或者被羟基、羟甲基、氧代、可选地取代的甲基亚甲基、-COR1（其中R1为C1-6烷基、-OR2或-NHR2，R2为氢、C1-6烷基、芳香族或ar（Ci-6）烷基）或=NOR3（其中R3为G1-6烷基）取代；X代表直链键、-CH2-或- 0-；Ar代表取代的苯基（前提是当-N不含氧原子且未被取代时，Ar含有多于一个不饱和环）；以及其生理学上可接受的盐和溶剂化合物。这些化合物被指出用于治疗疼痛和脑缺血。还透露了用于它们的制备的过程和中间体以及含有它们的制药组合物。