7-[3-(3-hydroxy-3-methyl-nonyl)-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-heptanoic acid methyl ester | 68312-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-[3-(3-hydroxy-3-methyl-nonyl)-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-heptanoic acid methyl ester
• 英文别名: Methyl 7-[3-(3-hydroxy-3-methylnonyl)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]heptanoate
• CAS: 68312-29-8
• 化学式: C₂₂H₄₀N₂O₄S
• 分子量: 428.637
• InChiKey: AYLHRDLGHXNKIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Deoxyhydantoins, processes for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0004723A1

  公开（公告）日：1979-10-17

  Compounds of the formula (1): wherein: Y is -CH2CH2-, -CH=CH- or -C=C. n is 1 to 5; R, is hydrogen, or CO2 R, represents an ester group in which the R, moiety contains from 1 to 12 carbon atoms; R2 is hydrogen, C1-4 alkyl, trifluoromethyl, or phenyl; R3 is hydroxy or protected hydroxy; R5 is hydrogen, C1-6 alkyl, phenyl or phenyl C1-6 alkyl, any of which phenyl moieties may be substituted by one or more halogen, trifluoromethyl, C1-5 alkyl, C1-6 alkoxy or nitro groups; and X is CH2 and R4 is C,.s alkyl, C3-8 cycloalkyl-C1-6 alkyl, phenyl-C1-6 alkyl or naphthyl-C1-6 alkyl, any of which groups may have one acyclic carbon-carbon bond interrupted by an oxygen atom; hydrogen, C3-8 cycloalkyl, phenyl or naphthyl, any of which phenyl of naphthyl moieties in R4 may be substituted by one or more halogen, trifluoromethyl, C1-6 alkyl, hydroxy, C1-6 alkoxy or nitro groups; or R2 and R4 taken with the carbon atom to which they are joined represent a C5-8 cycloalkyl group; or X is CS and R4 is C1-9 alkyl, C3-8 cycloalkyl-C1-6 alkyl, phenyl-C1-6 alkyl or naphthyl-C1-6 alkyl, having one acyclic carbon-carbon bond interrupted by an oxygen atom, and in which any phenyl or naphthyl moieties may be substituted by one or more halogen, trifluoromethyl, C1-6 alkyl, hydroxy, C1-6 alkoxy or nitro groups; and salts thereof; having similar pharmacological activity to natural prostaglandins, processes for their preparation, intermediates useful in those processes and pharmaceutical compositions containing compounds of the formula (I).

  式（1）化合物： 其中 Y 是 - -、-CH=CH- 或 -C=C. n 是 1 至 5； R, 是氢，或 CO2 R, 代表酯基，其中 R, 分子含有 1 至 12 个碳原子； R2 是氢、C1-4 烷基、三氟甲基或苯基； R3 是羟基或受保护的羟基； R5 是氢、C1-6 烷基、苯基或苯基 C1-6 烷基，其中任何苯基可被一个或多个卤素、三氟甲基、C1-5 烷基、C1-6 烷氧基或硝基取代；以及 X 是 CH2 和 R4 是 C,.s烷基、C3-8环烷基-C1-6烷基、苯基-C1-6烷基或萘基-C1-6烷基，其中任何基团都可以有一个被氧原子打断的无环碳-碳键；氢、C3-8 环烷基、苯基或萘基，R4 中的任何苯基或萘基可被一个或多个卤素、三氟甲基、C1-6 烷基、羟基、C1-6 烷氧基或硝基取代；或 R2 和 R4 与它们连接的碳原子一起代表一个 C5-8 环烷基；或 X 是 CS 和 R4为C1-9烷基、C3-8环烷基-C1-6烷基、苯基-C1-6烷基或萘基-C1-6烷基，具有一个被氧原子打断的无环碳-碳键，其中任何苯基或萘基可被一个或多个卤素、三氟甲基、C1-6烷基、羟基、C1-6烷氧基或硝基取代；及其盐类；具有与天然前列腺素相似的药理活性、其制备工艺、用于这些工艺的中间体以及含有式 (I) 化合物的药物组合物。
• US4147796A
  申请人：——

  公开号：US4147796A

  公开（公告）日：1979-04-03
• US4246273A
  申请人：——

  公开号：US4246273A

  公开（公告）日：1981-01-20
• US4312881A
  申请人：——

  公开号：US4312881A

  公开（公告）日：1982-01-26