2-(3,5-dichloro-1-oxy-pyridin-4-yl)-1-(2-hydroxy-3,4-dimethoxy-phenyl)-ethanone | 1035573-42-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(3,5-dichloro-1-oxy-pyridin-4-yl)-1-(2-hydroxy-3,4-dimethoxy-phenyl)-ethanone
• 英文别名: 2-(3,5-Dichloro-1-oxidopyridin-1-ium-4-yl)-1-(2-hydroxy-3,4-dimethoxyphenyl)ethanone
• CAS: 1035573-42-2
• 化学式: C₁₅H₁₃Cl₂NO₅
• 分子量: 358.178
• InChiKey: KVQPLHZYPIUKMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS
  申请人：Felding Jakob

  公开号：US20100035908A1

  公开（公告）日：2010-02-11

  The present invention relates to a compound according to formula: (I); wherein X 1 , X 2 , X 3 , X 4 and X 5 independently of each other represent —CH— or N; or X 3 , X 4 and X 5 independently of each other represent —CH— or N, and Xi and X 2 independently of each other represent C and form part of an additional 6-membered aromatic ring; R 1 represents hydrogen, alkyl, alkenyl, alkynyl, haloalkyl, hydroxyalkyl, or alkylcarbonyl, all of which are optionally substituted; R 2 and R 3 independently represent hydrogen, —CH 2 —C(O)NR—R′, alkyl, cycloalkyl, alkenyl, cycloalkenyl, alkynyl, haloalkyl, hydroxyalkyl, heterocycloalkenyl, alkylaryl, alkylalkoxycarbonyl, alkylcarbonyloxy, or alkoxyalkyl, all of which are optionally substituted; R 11 represents hydrogen, halogen, cyano, amino, alkoxy or alkylamino, X 1 -X 5 represent —CH— or N, including N-oxides, enantiomers and diastereomers; and pharmaceutically acceptable salts, hydrates, or solvates thereof. The invention relates further to processes for the preparation of said compounds, to said compounds for use in therapy, to pharmaceutical compositions comprising said compounds, to methods of treating diseases, e.g. dermal diseases, with said compounds, and to the use of said compounds in the manufacture of medicaments.

  本发明涉及一种化合物，其化学式为（I）; 其中X1，X2，X3，X4和X5相互独立地表示—CH—或N; 或者X3，X4和X5相互独立地表示—CH—或N，Xi和X2相互独立地表示C，并形成额外的6元芳香环的一部分; R1表示氢，烷基，烯基，炔基，卤代烷基，羟基烷基或烷基羰基，所有这些都可以被取代; R2和R3相互独立地表示氢，—CH2—C（O）NR—R′，烷基，环烷基，烯基，环烯基，炔基，卤代烷基，羟基烷基，杂环烯基，烷基芳基，烷基烷氧羰基，烷基羰氧基或烷氧基烷基，所有这些都可以被取代; R11表示氢，卤素，氰基，氨基，烷氧基或烷基氨基，X1-X5表示—CH—或N，包括N-氧化物，对映体和非对映体;以及其药学上可接受的盐，水合物或溶剂化物。本发明还涉及制备该化合物的方法，使用该化合物进行治疗的方法，包括该化合物的制药组合物，治疗疾病的方法，例如皮肤疾病，并且涉及使用该化合物制造药物的用途。
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  公开号：US8148537B2

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  公开号：US8497380B2

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