4-(3-ethyl-5-phenylisoxazol-4-yl)benzenesulfonamide | 181695-85-2

• 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-ethyl-5-phenylisoxazol-4-yl)benzenesulfonamide
• 英文别名: 4-[3-ethyl-5-phenylisoxazol-4-yl]benzenesulfonamide；4-(3-Ethyl-5-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
• CAS: 181695-85-2
• 化学式: C₁₇H₁₆N₂O₃S
• 分子量: 328.392
• InChiKey: IQHFIMRYUJFZQW-UHFFFAOYSA-N

物化性质

• 沸点：
  512.8±60.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  4
• 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

反应信息

• 作为产物：
  描述：

  3-methyl-4-(4-(methylthio)phenyl)-5-phenylisoxazole 在 ammonium hydroxide 作用下， 以 氯磺酸 、 水 为溶剂， 生成 4-(3-ethyl-5-phenylisoxazol-4-yl)benzenesulfonamide
  参考文献：
  名称：

  Isoxazole compounds as cyclooxygenase inhibitors

  摘要：

  所述一类取代异噁唑基化合物用于治疗与环氧合酶-2相关的疾病。特别感兴趣的化合物由下式I定义：其中R.sup.1、R.sup.2和R.sup.3在说明书中有描述。

  公开号：

  US05859257A1

文献信息

• Substituted isoxazoles for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：EP1223167A3

  公开（公告）日：2002-08-07

  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.

  描述了一类取代的异氧氮杂环化合物，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从羟基，低烷基，羧基，卤素，低羧基烷基，低烷氧羰基烷基，低烷氧基烷基，低羧氧基烷氧基，低卤代烷基，低卤代烷基磺酰氧基，低羟基烷基，低芳基（羟基烷基），低羧基芳氧基烷基，低烷氧羰基芳氧基烷基，低环烷基，低环烷基烷基和低芳基烷基中选择；R8是一个或多个基团，独立地从氢化物，低烷基亚砜基，低烷基，氰基，羧基，低烷氧羰基，低卤代烷基，羟基，低羟基烷基，低卤代氧基，氨基，低烷基氨基，低芳基氨基，低氨基烷基，硝基，卤素，低烷氧基，氨基磺酰基和低烷硫基中独立选择；或其药学上可接受的盐。
• Compositions of a cyclooxygenase-2 selective inhibitor and a sodium ion channel blocker for the treatment of pain, inflammation or inflammation mediated disorders
  申请人：Pharmacia Corporation

  公开号：US20040220187A1

  公开（公告）日：2004-11-04

  The present invention provides compositions and methods for the treatment of pain, inflammation or inflammation-mediated disorders in a subject. More particularly, the invention provides a combination therapy for the treatment of pain, inflammation or inflammation mediated disorders comprising the administration to a subject of a sodium ion channel blocker in combination with a cyclooxygenase-2 selective inhibitor.

  本发明提供了用于治疗疼痛、炎症或炎症介导性疾病的组合物和方法。更具体地，本发明提供了一种联合疗法，用于治疗疼痛、炎症或炎症介导性疾病，包括向受试者施用钠离子通道阻滞剂与环氧合酶-2选择性抑制剂的组合。
• Combination of a Cox-2 inhibitor and a DNA topoisomerase I inhibitor for treatment of neoplasia
  申请人：Masferrer L. Jaime

  公开号：US20050187172A1

  公开（公告）日：2005-08-25

  The present invention provides combinations of a Cox-2 inhibitor and a DNA topoisomerase inhibitor and methods of use thereof for preventing and/or treating neoplasia or or a neoplasia-related disorder in a subject.

  本发明提供了一种COX-2抑制剂和DNA拓扑异构酶抑制剂的组合物，以及它们的使用方法，用于预防和/或治疗受试者中的肿瘤或与肿瘤相关的疾病。
• Method for the treatment or prevention of dermatological disorders with a cyclooxygenase-2 inhibitor alone and in combination with a dermatological treatment agent and compositions therewith
  申请人：Pulaski P. Steven

  公开号：US20050014729A1

  公开（公告）日：2005-01-20

  A method for preventing or treating dermatological disorders and dermatological disorder-related complications in a subject involves a monotherapy with a Cox-2 inhibitor or a combination therapy with a Cox-2 inhibitor and a dermatological treatment agent. Also described are therapeutic compositions comprising a Cox-2 inhibitor and a dermatological treatment agent. Pharmaceutical compositions and kits for implementing the present method are also described.

  一种预防或治疗受试者的皮肤病和与皮肤病相关并发症的方法涉及使用Cox-2抑制剂进行单独治疗或与Cox-2抑制剂和皮肤治疗剂的联合治疗。还描述了包含Cox-2抑制剂和皮肤治疗剂的治疗组合物。还描述了用于实施本方法的药物组合物和工具包。
• [EN] METHOD FOR PREVENTING OR TREATING AN OPTIC NEUROPATHY<br/>[FR] METHODE PERMETTANT DE PREVENIR OU DE TRAITER UNE NEUROPATHIE OPTIQUE
  申请人：PHARMACIA CORP

  公开号：WO2005021004A1

  公开（公告）日：2005-03-10

  The present invention provides methods and compositions for the prevention and/or treatment of an optic neuropathy, comprising a Cox-2 inhibitor and an intraocular pressure reducing agent.

  本发明提供了一种预防和/或治疗视神经病变的方法和组合物，包括Cox-2抑制剂和降低眼压的药剂。