4-[5-propyl-3-phenylisoxazol-4-yl]benzenesulfonic acid | 181696-36-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[5-propyl-3-phenylisoxazol-4-yl]benzenesulfonic acid
• 英文别名: 4-(3-Phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonic acid
• CAS: 181696-36-6
• 化学式: C₁₈H₁₇NO₄S
• 分子量: 343.403
• InChiKey: LIMULJONDWLNRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  88.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION<br/>[FR] ISOXAZOLES SUBSTITUES UTILISABLES DANS LE TRAITEMENT D'INFLAMMATIONS
  申请人：G.D. SEARLE & CO.

  公开号：WO1996025405A1

  公开（公告）日：1996-08-22

  (EN) A class of substituted isoxazolyl compounds is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula (III) whrein R7 is selected from hydroxyl, lower alkyl, carboxyl, halo, lower carboxyalkyl, lower alkoxycarbonylalkyl, lower alkoxyalkyl, lower carboxyalkoxyalkyl, lower haloalkyl, lower haloalkylsulfonyloxy, lower hydroxylalkyl, lower aryl (hydroxylalkyl), lower carboxyaryloxyalkyl, lower alkoxycarbonylaryloxyalkyl, lower cycloalkyl, lower cycloalkylalkyl, and lower aralkyl; and wherein R8 is one or more radicals independently selected from hydrido, lower alkylsulfinyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, lower haloalkyl, hydroxyl, lower hydroxyalkyl, lower haloalkoxy, amino, lower alkylamino, lower arylamino, lower aminoalkyl, nitro, halo, lower alkoxy, aminosulfonyl, and lower alkylthio; or a pharmaceutically-acceptable salt thereof.(FR) Cette invention concerne une classe de composés d'isoxazolyle substitué pouvant être utilisés dans le traitement d'inflammations et de troubles liés à des inflammations. Les composés suscitant un intérêt particulier sont représentés par la formule (III), dans laquelle R7 est choisi parmi hydroxyle, alkyle inférieur, carboxyle, halo, carboxyalkyle inférieur, alcoxycarbonylalkyle inférieur, alcoxyalkyle inférieur, carboxyalcoxyalkyle inférieur, haloalkyle inférieur, haloalkylsulfonyloxy inférieur, hydroxylalkyle inférieur, aryle(hydroxylalkyle) inférieur, carboxyaryloxyalkyle inférieur, alcoxycarbonylaryloxyalkyle inférieur, cycloalkyle inférieur, cycloalkylalkyle inférieur et aralkyle inférieur; et R8 représente un ou plusieurs radicaux choisis indépendamment parmi hydrido, alkylsulfinyle inférieur, alkyle inférieur, cyano, carboxyle, alcoxycarbonyle inférieur, haloalkyle inférieur, hydroxyle, hydroxyalkyle inférieur, haloalcoxy inférieur, amino, alkylamino inférieur, arylamino inférieur, aminoalkyle inférieur, nitro, halo, alcoxy inférieur, aminosulfonyle et alkylthio inférieur. Cette invention concerne également les sels de ces composés acceptables sur le plan pharmaceutique.

  本发明涉及一类取代的异噁唑基化合物，用于治疗炎症和与炎症相关的疾病。特别感兴趣的化合物由公式（III）定义，其中R7选自羟基，较低的烷基，羧基，卤素，较低的羧基烷基，较低的烷氧羰基烷基，较低的烷氧基烷基，较低的羧氧基烷氧基烷基，较低的卤代烷基，较低的卤代烷基磺酰氧基，较低的羟基烷基，较低的芳基（羟基烷基），较低的羧基芳氧基烷基，较低的烷氧羰基芳氧基烷基，较低的环烷基，较低的环烷基烷基和较低的芳基烷基；R8是一个或多个基团，独立选择自氢，较低的烷基亚砜基，较低的烷基，氰基，羧基，较低的烷氧羰基，较低的卤代烷基，羟基，较低的羟基烷基，较低的卤代烷氧基，氨基，较低的烷基氨基，较低的芳基氨基，较低的氨基烷基，硝基，卤素，较低的烷氧基，氨基磺酰基和较低的烷硫基；或其药学上可接受的盐。
• Substituted isoxazoles for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：EP1223167A2

  公开（公告）日：2002-07-17

  A class of substituted isoxazolyl compounds is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula (III) wherein R7 is selected from hydroxyl, lower alkyl, carboxyl, halo, lower carboxylalkyl, lower alkoxycarbonylalkyl, lower alkoxyalkyl, lower carboxyalkoxyalkyl, lower haloalkyl, lower haloalkylsulfonyloxy, lower hydroxyalkyl, lower aryl (hydroxylalkyl), lower carboxyaryloxyalkyl, lower alkoxycarbonylaryloxyalkyl, lower cycloalkyl, lower cycloalkylalkyl, and lower aralkyl; and wherein R8 is one or more radicals independently selected from hydrido, lower alkylsulfinyl, lower alkyl, cyano, carboxyl, lower alkoxycarbonyl, lower haloalkyl, hydroxyl, lower hydroxyalkyl, lower haloalkoxy, amino, lower alkylamino, lower arylamino, lower aminoalkyl, nitro, halo, lower alkoxy, aminosulfonyl, and lower alkylthio; or a pharmaceutically-acceptable salt thereof.

  描述了一类用于治疗炎症和炎症相关疾病的取代异噁唑基化合物。其中 R7 选自羟基、低级烷基、羧基、卤代基、低级羧基烷基、低级烷氧基羰基烷基、低级烷氧基烷基、低级羧基烷氧基烷基、低级卤代烷基、低级卤代烷基磺酰氧基、低级羟基烷基、低级芳基（羟基烷基）、低级羧基芳氧基烷基、低级烷氧基羰基芳氧基烷基、低级环烷基、低级环烷基烷基和低级芳基；其中 R8 是一个或多个独立选自氢基、低级烷基亚磺酰基、低级烷基、氰基、羧基、低级烷氧基羰基、低级卤代烷基、羟基、低级羟基烷基、低级卤代烷氧基、氨基、低级烷基氨基、低级芳基氨基、低级氨基烷基、硝基、卤代、低级烷氧基、氨磺酰基和低级烷硫基的基；或其药学上可接受的盐。
• Modulators of FAAH
  申请人：Pearson Philip James

  公开号：US20060167075A1

  公开（公告）日：2006-07-27

  Methods for inhibiting the activity of FAAH and methods for preventing and/or treating certain disorders, e.g., anxiety disorders, sleep disorders and weight disorders, by administering celecoxib, valdecoxib or certain structurally related compounds at a dosage that is sufficient to treat and/or prevent the disorder are described.

  本文描述了通过施用塞来昔布、缬癸昔布或某些结构相关的化合物，以足以治疗和/或预防某些疾病（如焦虑症、睡眠障碍和体重障碍）的剂量来抑制 FAAH 活性的方法以及预防和/或治疗这些疾病的方法。
• SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：EP0809636B1

  公开（公告）日：2002-09-04
• US5633272A
  申请人：——

  公开号：US5633272A

  公开（公告）日：1997-05-27