Ethyl 4-[(2-chloroethyl)sulfanyl]butanoate | 4303-47-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 4-[(2-chloroethyl)sulfanyl]butanoate
• 英文别名: ethyl 4-(2-chloroethylsulfanyl)butanoate
• CAS: 4303-47-3
• 化学式: C₈H₁₅ClO₂S
• 分子量: 210.72
• InChiKey: YDBOMLHGHSBTIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Novel phenolic thioethers as inhibitors of 5-lipoxygenase
  申请人：G.D. Searle & Co.

  公开号：EP0235575A1

  公开（公告）日：1987-09-09

  The compounds of the present invention comprise substituted phenolic thioethers represented by the formula: wherein: R₁ and R₂ are the same or different and independently represent tert-alkyl or phenyl; A represents methylene or methylene substituted by alkyl, dialkyl or hydroxy, provided that when A includes hydroxymethylene, the hydroxymethylene group is not adjacent to a heteroatom; B represents sulfur, sulfoxide, sulfone, oxygen, -NH- or nitrogen substituted by alkyl, phenyl, benzyl, substituted phenyl or substituted benzyl; C represents methylene or methylene substituted by alkyl; R₃ represents CO₂H, CO₂-alkyl or a tetrazole group; m is 0 or 1, n is 2, 3 or 4 and p is 1, 2 or 3; and the pharmaceutically acceptable salts thereof. The compounds of the present invention are specific inhibitors of 5-lipoxygenase and, therefore, are usefull in the treatment of local and systemic inflammation, allergy and hypersensitivity reactions and other disorders in which agents formed in the 5-lipoxygenase metabolic pathway are involved.

  本发明的化合物包括由式表示的取代酚硫醚： 其中R₁ 和 R₂ 相同或不同，且独立地代表叔烷基或苯基；A 代表亚甲基或被烷基、二烷基或羟基取代的亚甲基，条件是当 A 包括羟基亚甲基时，羟基亚甲基不与杂原子相邻；B代表硫、亚砜、砜、氧、-NH-或被烷基、苯基、苄基、取代苯基或取代苄基取代的氮；C代表亚甲基或被烷基取代的亚甲基；R₃代表CO₂H、CO₂-烷基或四唑基；m为0或1，n为2、3或4，p为1、2或3；及其药学上可接受的盐。本发明的化合物是 5-脂氧合酶的特异性抑制剂，因此可用于治疗局部和全身性炎症、过敏和超敏反应以及其他涉及 5-脂氧合酶代谢途径的疾病。
• US4755524A
  申请人：——

  公开号：US4755524A

  公开（公告）日：1988-07-05