3-[2-(2,2-Dimethoxyethyl)-5-phenyl-1H-imidazol-4-yl]pyridine | 81891-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[2-(2,2-Dimethoxyethyl)-5-phenyl-1H-imidazol-4-yl]pyridine
• CAS: 81891-75-0
• 化学式: C₁₈H₁₉N₃O₂
• 分子量: 309.4
• InChiKey: ANTQKDKVWRBAEW-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：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Heterocyclic aromatic oxazole compounds and use thereof
  申请人：——

  公开号：US20020198244A1

  公开（公告）日：2002-12-26

  A heterocyclic aromatic oxazole compound of the formula (I) 1 wherein Z is an oxygen atom; one of R and R 1 is a group of the formula 2 wherein R 3 is lower alkyl, amino or lower alkylamino, and R 4 , R 5 , R 6 and R 7 are the same or different and each is hydrogen atom, halogen atom, lower alkyl, lower alkoxy, trifluoromethyl, hydroxy or amino, provided that at least one of R 4 , R 5 , R 6 and R 7 is not hydrogen atom, and the other is an optionally substituted cycloalkyl, an optionally substituted heterocyclic group or an optionally substituted aryl; and R 2 is a lower alkyl or a halogenated lower alkyl, and a pharmaceutically acceptable salt thereof. The heterocyclic aromatic oxazole compound and pharmaceutically acceptable salts thereof have antipyretic action, analgesic action, anti-inflammatory action, and particularly, selective inhibitory action on cyclooxygenase-2 (COX-2), and are expected to be useful as anti-inflammatory agents with less side-effects such as digestive tract disorders.

  式(I)中，Z为氧原子；R和R1中的一个为式2的基团，其中R3为低碳基、氨基或低碳基氨基，R4、R5、R6和R7相同或不同，且每个为氢原子、卤素原子、低碳基、低碳氧基、三氟甲基、羟基或氨基，但至少有一个为非氢原子，另一个为可选取代的环烷基、可选取代的杂环基或可选取代的芳基；R2为低碳基或卤代低碳基，以及其药学上可接受的盐。该杂环芳香族噁唑化合物及其药学上可接受的盐具有退热作用、镇痛作用、抗炎作用，特别是对环氧合酶-2 (COX-2)的选择性抑制作用，并有望作为抗炎剂使用，具有较少的消化道副作用。
• HETEROAROMATIC OXAZOLE COMPOUNDS AND USE THEREOF
  申请人：Japan Tobacco Inc.

  公开号：EP0745596A1

  公开（公告）日：1996-12-04

  A heterocyclic aromatic oxazole compound of the formula (I) wherein Z is an oxygen atom; one of R and R1 is a group of the formula wherein R3 is lower alkyl, amino or lower alkylamino, and R4, R5, R6 and R7 are the same or different and each is hydrogen atom, halogen atom, lower alkyl, lower alkoxy, trifluoromethyl, hydroxy or amino, provided that at least one of R4, R5, R6 and R7 is not hydrogen atom, and the other is an optionally substituted cycloalkyl, an optionally substituted heterocyclic group or an optionally substituted aryl; and R2 is a lower alkyl or a halogenated lower alkyl, and a pharmaceutically acceptable salt thereof. The heterocyclic aromatic oxazole compound and pharmaceutically acceptable salts thereof have antipyretic action, analgesic action, anti-inflammatory action, and particularly, selective inhibitory action on cyclooxygenase-2 (COX-2), and are expected to be useful as anti-inflammatory agents with less side-effects such as digestive tract disorders.

  式（I）的杂环芳香族噁唑化合物 其中 Z 是氧原子；R 和 R1 中的一个是式中的基团 其中 R3 是低级烷基、氨基或低级烷基氨基，R4、R5、R6 和 R7 相同或不同，且各自是氢原子、卤素原子、低级烷基、低级烷氧基、三氟甲基、羟基或氨基，条件是 R4、R5、R6 和 R7 中至少有一个不是氢原子，另一个是任选取代的环烷基、任选取代的杂环基团或任选取代的芳基；以及 R2 是低级烷基或卤代低级烷基，及其药学上可接受的盐。杂环芳香族噁唑化合物及其药学上可接受的盐具有解热作用、镇痛作用、抗炎作用，特别是对环氧化酶-2（COX-2）具有选择性抑制作用，可望作为副作用较少（如消化道功能紊乱）的抗炎药物。
• OXAZOLE DERIVATIVES AND USE THEREOF
  申请人：Japan Tobacco Inc.

  公开号：EP0826676A1

  公开（公告）日：1998-03-04

  Oxazole derivatives of the formula (I) wherein one of R and R1 is a methylsulfonylphenyl, an aminosulfonylphenyl or an alkylaminosulfonylphenyl, and the other is a cycloalkyl having 5 to 7 carbon atoms which is optionally substituted by lower alkyl, a thienyl optionally substituted by lower alkyl or halogen atom or a furanyl optionally substituted by lower alkyl or halogen atom, and R2 is a lower alkyl, and pharmaceutically acceptable salts thereof. The oxazole derivatives and pharmaceutically acceptable salts thereof have superior antipyretic action, analgesic action, anti-inflammatory action, and particularly, selective inhibitory action on cyclooxygenase-2 (COX-2), and are expected to be useful as an antipyretic agent, an analgesic agent and an anti-inflammatory agent with less side-effects such as disorders in the digestive tract.

  式（I）的噁唑衍生物 其中 R 和 R1 中的一个是甲磺酰基苯基、氨磺酰基苯基或烷基氨磺酰基苯基，另一个是具有 5 至 7 个碳原子的环烷基，该环烷基可选择被低级烷基、可选择被低级烷基或卤素原子取代的噻吩基或可选择被低级烷基或卤素原子取代的呋喃基取代，R2 是低级烷基，以及它们的药学上可接受的盐。噁唑衍生物及其药学上可接受的盐类具有优异的解热作用、镇痛作用和抗炎作用，特别是对环氧化酶-2（COX-2）具有选择性抑制作用，有望用作解热剂、镇痛剂和抗炎剂，且副作用较小，如消化道功能紊乱。
• US5945539A
  申请人：——

  公开号：US5945539A

  公开（公告）日：1999-08-31
• US5994381A
  申请人：——

  公开号：US5994381A

  公开（公告）日：1999-11-30