(R)-(乙酰氨基)-(1,4-环己二烯-1-基)乙酸 | 167424-24-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (R)-(乙酰氨基)-(1,4-环己二烯-1-基)乙酸
• 英文名称: (R)-(acetylamino)-(1,4-cyclohexadiene-1-yl)acetic acid
• 英文别名: (R)-(acetylamino) (1,4-cyclohexadiene-1-yl)acetic acid；(2R)-2-acetamido-2-cyclohexa-1,4-dien-1-ylacetic acid
• CAS: 167424-24-0
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: DNLAWRBJICUULK-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-(乙酰氨基)-(1,4-环己二烯-1-基)乙酸 在 氧化铂 氢气 、 乙醇 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以to give 11.4 g (75%) of the title compound的产率得到(R)-乙酰基氨基-环己基-乙酸
  参考文献：
  名称：

  Imidazotriazinone derivatives as PDE 7 (phosphodiesterase 7) inhibitors

  摘要：

  本发明提供了选择性抑制PDE7的化合物，因此提高了细胞cAMP水平。因此，该化合物可用于治疗各种疾病，如过敏性疾病、炎症性疾病或免疫性疾病。该化合物是由以下式子（IA）或（IB）表示的咪唑三嗪酮化合物：特别地，R1是环己基基团，R2是甲基基团；R3是氢原子；硝基团；氰基团；卤素原子；杂环基团；取代或未取代的C1-C6烷基团；取代或未取代的C2-C6烯基团；取代或未取代的饱和或不饱和杂环烷基团；一种基团：—NR5R6，—C（O）R7，—SO2R7，—OR8，—NR8COR7，—NR8S02R7；A为CR4；B为CH。

  公开号：

  US07713972B2

文献信息

• [EN] IMIDAZOTRIAZINONE DERIVATIVES AS PDE 7 (PHOSPHODIESTERASE 7) INHIBITORS<br/>[FR] DERIVES D'IMIDAZOTRIAZINONE SERVANT D'INHIBITEURS DE PDE 7 (PHOSPHODIESTERASE 7)
  申请人：DAIICHI SUNTORY PHARMA CO LTD

  公开号：WO2004111053A1

  公开（公告）日：2004-12-23

  The present invention provides the compounds inhibiting PDE 7 selectively, and therefore, enhances cellular cAMP level. Consequently, the compound is useful for treating various kinds of disease such as allergic disease, inflammatory disease or immunologic disease. The compound is imidazotirazinone compound represented by the following formula (IA) or (IB): especially, R1 is cyclohexyl group, R2 is methyl group; R3 is a hydrogen atom; nitro group; cyano group; a halogen atom; heteroaryl group; substituted or unsubstituted C1-C6 alkyl group; substituted or unsubstituted C2-C6 alkenyl group; saturated or unsaturated heterocycloalkyl group which is substituted or unsubstituted; a group: -NR5R6, -C(O)R7, -SO2R7, -OR8, -NR8COR7, -NR8SO2R7; A is CR4; and B is CH.

  本发明提供了选择性抑制PDE 7的化合物，从而增强细胞内cAMP水平。因此，该化合物对治疗各种疾病如过敏性疾病、炎症性疾病或免疫性疾病具有用处。该化合物是由以下式(IA)或(IB)表示的咪唑并吡嗪酮化合物：特别地，R1是环己基，R2是甲基；R3是氢原子；硝基；氰基；卤原子；杂环烷基；取代或未取代的C1-C6烷基；取代或未取代的C2-C6烯基；取代或未取代的饱和或不饱和杂环烷基；一个基团：-NR5R6，-C(O)R7，-SO2R7，-OR8，-NR8COR7，-NR8SO2R7；A是CR4；B是CH。
• Imidazotriazinone derivatives as pde 7 (phosphodiesterase 7) inhibitors
  申请人：Inoue Hidekazu

  公开号：US20060128707A1

  公开（公告）日：2006-06-15

  The present invention provides the compounds inhibiting PDE 7 selectively, and therefore, enhances cellular cAMP level. Consequently, the compound is useful for treating various kinds of disease such as allergic disease, inflammatory disease or immunologic disease. The compound is imidazotirazinone compound represented by the following formula (IA) or (IB): especially, R1 is cyclohexyl group, R2 is methyl group; R3 is a hydrogen atom; nitro group; cyano group; a halogen atom; heteroaryl group; substituted or unsubstituted C1-C6 alkyl group; substituted or unsubstituted C2-C6 alkenyl group; saturated or unsaturated heterocycloalkyl group which is substituted or unsubstituted; a group: —NR5R6, —C(O)R7, —SO2R7, —OR8, —NR8COR7, —NR8S02R7; A is CR4; and B is CH.

  本发明提供了选择性抑制PDE 7的化合物，从而增强细胞cAMP水平。因此，该化合物对于治疗各种疾病，如过敏性疾病、炎症性疾病或免疫性疾病非常有用。该化合物是由以下式子（IA）或（IB）表示的咪唑噻唑酮化合物：特别地，R1是环己基基团，R2是甲基基团；R3是氢原子；硝基基团；氰基团；卤素原子；杂环芳基基团；取代或未取代的C1-C6烷基基团；取代或未取代的C2-C6烯基基团；取代或未取代的饱和或不饱和杂环烷基基团；一种基团：—NR5R6，—C（O）R7，—SO2R7，—OR8，—NR8COR7，—NR8S02R7；A是CR4；B是CH。
• Imidazotriazinone derivatives as PDE 7 (phosphodiesterase 7) inhibitors
  申请人：Asubio Pharma Co., Ltd.

  公开号：US07713972B2

  公开（公告）日：2010-05-11

  The present invention provides the compounds inhibiting PDE 7 selectively, and therefore, enhances cellular cAMP level. Consequently, the compound is useful for treating various kinds of disease such as allergic disease, inflammatory disease or immunologic disease. The compound is imidazotriazinone compound represented by the following formula (IA) or (IB): especially, R1 is cyclohexyl group, R2 is methyl group; R3 is a hydrogen atom; nitro group; cyano group; a halogen atom; heteroaryl group; substituted or unsubstituted C1-C6 alkyl group; substituted or unsubstituted C2-C6 alkenyl group; saturated or unsaturated heterocycloalkyl group which is substituted or unsubstituted; a group: —NR5R6, —C(O)R7, —SO2R7, —OR8, —NR8COR7, —NR8S02R7; A is CR4; and B is CH.

  本发明提供了选择性抑制PDE7的化合物，因此提高了细胞cAMP水平。因此，该化合物可用于治疗各种疾病，如过敏性疾病、炎症性疾病或免疫性疾病。该化合物是由以下式子（IA）或（IB）表示的咪唑三嗪酮化合物：特别地，R1是环己基基团，R2是甲基基团；R3是氢原子；硝基团；氰基团；卤素原子；杂环基团；取代或未取代的C1-C6烷基团；取代或未取代的C2-C6烯基团；取代或未取代的饱和或不饱和杂环烷基团；一种基团：—NR5R6，—C（O）R7，—SO2R7，—OR8，—NR8COR7，—NR8S02R7；A为CR4；B为CH。