(S)-6-trifluoromethoxy-2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid | 215122-73-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (S)-6-trifluoromethoxy-2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid
• 英文别名: (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
• CAS: 215122-73-9
• 化学式: C₁₂H₆F₆O₄
• 分子量: 328.168
• InChiKey: CSOISVJKLBMNCK-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (S)-6-trifluoromethoxy-2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid 、 乙醇 在 硫酸 作用下， 以85%的产率得到ethyl (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED CYCLOPROPYL CHROMENE COMPOUNDS FOR USE IN THE TREATMENT AND PREVENTION OF INFLAMMATION RELATED CONDITIONS
  [FR] COMPOSES DE CYCLOPROPYL CHROMENE SUBSTITUES DESTINES A ETRE UTILISES DANS LE TRAITEMENT ET LA PREVENTION DE PATHOLOGIES LIEES A DES INFLAMMATIONS

  摘要：

  本发明涉及在与环氧合酶-2介导的疾病相关的情况治疗中具有效用的方法和化合物。特别感兴趣的化合物是由式（1）定义的苯并吡喃和它们的类似物，其中Z、X、R1、R2、R3和R4如规范中所述。

  公开号：

  WO2006040672A1

文献信息

• [EN] NITROSATED BENZOPYRAN COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS<br/>[FR] COMPOSES BENZOPYRANNE NITROSES EN TANT QUE NOUVEAUX INHIBITEURS SELECTIFS DE LA CYCLOOXYGENASE-2
  申请人：PHARMACIA & UPJOHN CO LLC

  公开号：WO2006040676A1

  公开（公告）日：2006-04-20

  This invention specifically relates to novel cyclooxygenase 2 (COX-2) selective inhibitor compounds that donate, transfer or release nitric oxide, stimulate endogenous synthesis of nitric oxide, elevate endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase. Compounds of particular interest and their analogs defined by formula (I) wherein Z, X, R1, R2, R3, and R4 are as described in the specification. This invention also relates to pharmaceutical compositions and methods for treating COX-2 mediated disorders, such as inflammation and inflammation related disorders.

  这项发明特指与新型环氧合酶2（COX-2）选择性抑制剂化合物有关，这些化合物可以提供、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性舒张因子的水平，或者是一氧化氮合酶的底物。特别感兴趣的化合物及其由式（I）中定义的类似物，其中Z、X、R1、R2、R3和R4如规范中所述。这项发明还涉及用于治疗COX-2介导的疾病，如炎症和与炎症相关的疾病的药物组合物和方法。
• Antiangiogenic combination therapy for the treatment of cancer
  申请人：——

  公开号：US20020103141A1

  公开（公告）日：2002-08-01

  The present invention provides combinations of a DNA topoisomerase I inhibiting agent and a selective COX-2 inhibiting agent for preventing, treating, and/or reducing the risk of developing a neoplasia disorder in a mammal.

  本发明提供了一种DNA拓扑异构酶I抑制剂和选择性COX-2抑制剂的组合物，用于预防、治疗和/或减少哺乳动物发生肿瘤性疾病的风险。
• 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。
• Treatment and prevention of otic disorders with Cox-2 inhibitors alone or in combination with otic agents
  申请人：Pharmacia Corporation

  公开号：US20040204471A1

  公开（公告）日：2004-10-14

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

  一种用于预防或治疗主体的耳部疾病和耳部疾病相关并发症的方法涉及使用Cox-2抑制剂进行单一疗法或使用Cox-2抑制剂和耳部药剂进行联合疗法。还描述了包含Cox-2抑制剂和耳部药剂的治疗组合物。还描述了用于实施本方法的药物组合物和工具包。
• Method of providing a steroid-sparing benefit with a cyclooxygenase-2 inhibitor and compositions therewith
  申请人：Pharmacia Corporation

  公开号：US20040220155A1

  公开（公告）日：2004-11-04

  A method is described for providing a steroid-sparing benefit to a subject that is in need of, or that is presently receiving, a corticosteroid, the method comprising administering to the subject a cyclooxygenase-2 inhibitor in combination with a corticosteroid. Therapeutic compositions, pharmaceutical compositions and kits that are useful for implementing the present method are also described.

  描述了一种为需要或目前正在接受皮质类固醇治疗的受试者提供节约类固醇的方法，该方法包括向受试者同时给予环氧合酶-2抑制剂和皮质类固醇。还描述了用于实施该方法的治疗组合物、药物组合物和工具包。