2-[1,2,5-trimethyl-2,5-diaza-7,9-dithiabicyclo(4.3.0)-nonane-8-ylidene]-5,5-dimethyl-1,3-cyclohexanedione

• 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: 2-[1,2,5-trimethyl-2,5-diaza-7,9-dithiabicyclo(4.3.0)-nonane-8-ylidene]-5,5-dimethyl-1,3-cyclohexanedione
• 英文别名: 2-(3a,4,7-trimethyl-6,7a-dihydro-5H-[1,3]dithiolo[4,5-b]pyrazin-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
• 化学式: C₁₆H₂₄N₂O₂S₂
• 分子量: 340.511
• InChiKey: PEODVBPOTHMOLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  91.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 生成 2-[1,2,5-trimethyl-2,5-diaza-7,9-dithiabicyclo(4.3.0)-nonane-8-ylidene]-5,5-dimethyl-1,3-cyclohexanedione
  参考文献：
  名称：

  KUBOTA, SHUHE;HIRANGA, KUNIKAZU;NAKAYAMA, KEISUKE;UCHIDA, MATAZAEMON

  摘要：

  DOI：

文献信息

• Cyclohexanedione derivative for hepatic disorders and a process for
  申请人：Nihon Nohyaku Co., Ltd.

  公开号：US04863925A1

  公开（公告）日：1989-09-05

  A cyclohexanedione derivative represented by the general formula (I); ##STR1## wherein R.sup.1, R.sup.4 and R.sup.7 represent independently hydrogen atom or C.sub.1 -C.sub.8 alkyl group, R.sup.2 represents hydrogen atom; C.sub.1 -C.sub.8 alkyl group; C.sub.2 -C.sub.6 alkenyl group; C.sub.3 -C.sub.8 cycloalkyl group; C.sub.2 -C.sub.7 alkoxycarbonyl group; C.sub.1 -C.sub.6 alkylthio C.sub.1 -C.sub.6 alkyl group; a phenyl group; a phenyl group substituted with 1 to 3 groups selected from the group consisting of halogen atom, C.sub.1 -C.sub.6 alkyl group, C.sub.1 -C.sub.6 haloalkyl group, C.sub.1 -C.sub.6 alkoxy group, C.sub.1 -C.sub.6 alkylthio group, C.sub.3 -C.sub.8 cycloalkoxy group, a benzyloxy group and a benzyloxy group substituted with C.sub.1 -C.sub.6 alkoxy group; naphthyl group or a heterocyclic group, R.sup.3 represents hydrogen atom, C.sub.1 -C.sub.8 alkyl group or C.sub.2 -C.sub.7 alkoxycarbonyl group, and R.sup.5 and R.sup.6, which may be the same or different, represent hydrogen atom, C.sub.1 -C.sub.6 alkyl group, C.sub.2 -C.sub.6 alkenyl group, C.sub.2 -C.sub.7 alkylcarbonyl group or C.sub.2 -C.sub.7 haloalkylcarbonyl group or its pharmaceutically acceptable salts; a pharmaceutical composition containing the same that treats hepatic disorders; and a process for producing the same.

  一种由通式（I）表示的环己二酮衍生物；其中R.sup.1、R.sup.4和R.sup.7分别独立表示氢原子或C.sub.1-C.sub.8烷基基团，R.sup.2表示氢原子；C.sub.1-C.sub.8烷基基团；C.sub.2-C.sub.6烯基基团；C.sub.3-C.sub.8环烷基基团；C.sub.2-C.sub.7烷氧羰基团；C.sub.1-C.sub.6烷硫基C.sub.1-C.sub.6烷基基团；苯基；苯基，其上取代有1至3个选自卤原子，C.sub.1-C.sub.6烷基基团，C.sub.1-C.sub.6卤代烷基基团，C.sub.1-C.sub.6烷氧基团，C.sub.1-C.sub.6烷硫基团，C.sub.3-C.sub.8环烷氧基团，苄氧基和取代有C.sub.1-C.sub.6烷氧基的苄氧基；萘基或杂环基，R.sup.3表示氢原子，C.sub.1-C.sub.8烷基基团或C.sub.2-C.sub.7烷氧羰基团，R.sup.5和R.sup.6，可以相同也可以不同，表示氢原子，C.sub.1-C.sub.6烷基基团，C.sub.2-C.sub.6烯基基团，C.sub.2-C.sub.7烷基羰基团或C.sub.2-C.sub.7卤代烷基羰基团或其药学上可接受的盐；包含该化合物的用于治疗肝脏疾病的药物组合物；以及制备该化合物的方法。
• KUBOTA, SHUHE;HIRANGA, KUNIKAZU;NAKAYAMA, KEISUKE;UCHIDA, MATAZAEMON
  作者：KUBOTA, SHUHE、HIRANGA, KUNIKAZU、NAKAYAMA, KEISUKE、UCHIDA, MATAZAEMON

  DOI：——

  日期：——
• A cyclohexanedione derivative and a process for producing the same
  申请人：NIHON NOHYAKU CO., LTD.

  公开号：EP0261674B1

  公开（公告）日：1991-06-12
• US4863925A
  申请人：——

  公开号：US4863925A

  公开（公告）日：1989-09-05