4-[3-(4-methylphenyl)-5-methyl-isoxazol-4-yl]benzenesulfonamide | 569362-73-8

• 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-[3-(4-methylphenyl)-5-methyl-isoxazol-4-yl]benzenesulfonamide
• 英文别名: 4-[3-(4-methylyphenyl)-5-methylisoxazol-4-yl]benzenesulfonamide；4-[5-Methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
• CAS: 569362-73-8
• 化学式: C₁₇H₁₆N₂O₃S
• 分子量: 328.392
• InChiKey: NSDYVFKELBGNJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.6
• 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。
• Large conductance calcium-activated k channel opener
  申请人：Imanishi Yasuhiro

  公开号：US20070060629A1

  公开（公告）日：2007-03-15

  The present invention provides a large conductance calcium-activated K channel opener comprising a compound of the formula (I): wherein R 1 and R 3 are each sulfonamide, carbamoyl, acyl, amino, and the like, m and n are each 0 to 2, R 2 and R 4 are each cyano, nitro, hydroxyl, an alkoxy, a halogen, or an alkyl, Ring A is benzene or a heterocyclic ring, Ring B is benzene, a heterocyclic ring, a cycloalkane etc, and Ring Q is pyrazole or isoxazole, or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了一种大导电性钙激活K通道开放剂，其包括以下式子（I）的化合物：其中R1和R3各自为磺酰胺基，氨基甲酰基，酰基，氨基等，m和n各自为0到2，R2和R4各自为氰基，硝基，羟基，烷氧基，卤素或烷基，环A为苯环或杂环，环B为苯环，杂环，环己烷等，环Q为吡唑环或异噁唑环，或其药学上可接受的盐作为活性成分。
• 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。
• Combinaison synergique de composés analgésiques
  申请人：Biocodex

  公开号：EP2335699A1

  公开（公告）日：2011-06-22

  La présente invention concerne une composition pharmaceutique comprenant à titre de substances actives : - au moins un composé de formule générale (I) suivante : et - au moins un inhibiteur de cyclooxygénase de type 2 (COX-2), notamment pour son utilisation dans la prévention ou le traitement de la douleur.

  本发明涉及一种药物组合物，其活性物质包括 - 至少一种以下通式(I)的化合物： 和 - 至少一种 2 型环氧化酶（COX-2）抑制剂、 特别用于预防或治疗疼痛。
• Bioorthogonal compositions
  申请人：TAMBO, INC.

  公开号：US11253600B2

  公开（公告）日：2022-02-22

  Cyclooctene conjugates of therapeutic or diagnostic agents have improved aqueous solubility and can release the agents upon contact with a tetrazine-containing biomaterial. The cyclooctene conjugates provide site-selective delivery of agents at the location of the tetrazine-containing biomaterial in a subject. The compositions and methods have applications in the treatment of various diseases or conditions including cancer, tumor growths, and bacterial infections.

  治疗剂或诊断剂的环辛烯共轭物具有更好的水溶性，并能在与含四嗪生物材料接触时释放药剂。环辛烯共轭物可在受试者体内含四氮生物材料的位置选择性地给药。这些组合物和方法可用于治疗各种疾病或病症，包括癌症、肿瘤生长和细菌感染。