2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid | 215122-16-0

• 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: 2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid
• 英文别名: 2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid
• CAS: 215122-16-0
• 化学式: C₁₁H₇F₃O₃
• 分子量: 244.17
• InChiKey: QSLSQLYQCKEGMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-trifluoromethyl-2H-1-benzopyran-3-carboxylic acid 在 氯磺酸 作用下， 以87%的产率得到ethyl 6-chlorosulfonyl-2-trifluoromethyl-2H-1-benzopyran-3-carboxylate
  参考文献：
  名称：

  Substituted benzopyran analogs for the treatment of inflammation

  摘要：

  描述了一类苯并吡喃、苯并硫吡喃、二氢喹啉、二氢萘和其类似物，用于治疗环氧化酶-2介导的疾病。特别感兴趣的化合物由Formula I'定义，其中X、A.sup.1、A.sup.2、A.sup.3、A.sup.4、R、R"、R.sup.1和R.sup.2如规范中所述。

  公开号：

  US06077850A1

文献信息

• [EN] NO-RELEASING NITROOXY-CHROMENE CONJUGATES<br/>[FR] CONJUGUÉS NITROOXY-CHROMÈNE À LIBÉRATION DE NO
  申请人：EUCLISES PHARMACEUTICALS INC

  公开号：WO2015109011A1

  公开（公告）日：2015-07-23

  The present invention provides NO-releasing nitrooxy-alkylenyl-linked-chromene conjugates, having the structure of Formula (1 ) wherein R1, R2, R3, R4, X, and L are as defined in the detailed description; pharmaceutical compositions comprising at least one compound o Formula (I); and methods useful for healing wounds, preventing and treating cancer and treating actinic keratosis, cystic fibrosis, and acne, using a compound of Formula (1).

  本发明提供了NO释放的硝基氧烷基连接的香豆素共轭物，其具有如下式（1）的结构，其中R1、R2、R3、R4、X和L如详细描述中所定义；包含至少一种Formula（I）化合物的药物组合物；以及使用Formula（1）化合物有益于愈合伤口、预防和治疗癌症以及治疗日光性角化症、囊性纤维化和痤疮的方法。
• [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087687A1

  公开（公告）日：2004-10-14

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula (I). Wherein Z, X, R1, R2, R3, and R4 are as described in the specification.

  该发明涉及在治疗与环氧合酶-2介导的疾病相关的情况中具有效用的方法和化合物。特别感兴趣的化合物是由式(I)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。
• [EN] NO-RELEASING NONOATE(OXYGEN-BOUND)CHROMENE CONJUGATES<br/>[FR] CONJUGUÉS DE NONOATE(LIÉ À L'OXYGÈNE)CHROMÈNE LIBÉRANT DE L'OXYDE NITRIQUE
  申请人：EUCLISES PHARMACEUTICALS INC

  公开号：WO2015109014A1

  公开（公告）日：2015-07-23

  The present invention provides NO-releasing NONOate(oxygen bound)chromene conjugates, having the structure of Formula (I): wherein Z, R1, R2, R3, R4, R5, R6, and R7 are as defined in the detailed description; pharmaceutical compositions comprising at least one compound of Formula (I); and methods useful for healing wounds, preventing and treating cancer, or treating actinic keratosis, cystic fibrosis, or acne, using a compound of Formula (I).

  本发明提供了释放NO的NONOate（氧结合）香豆素共轭物，其具有如下结构（I）的结构：其中Z、R1、R2、R3、R4、R5、R6和R7如详细描述中所定义；包括至少一种化合物的制药组合物（I）；以及使用化合物（I）有益于愈合伤口、预防和治疗癌症，或治疗光老化性角化症、囊性纤维化或痤疮的方法。
• NO-RELEASING GUANIDINE-CHROMENE CONJUGATES
  申请人：Euclises Pharmaceuticals, Inc.

  公开号：US20150197500A1

  公开（公告）日：2015-07-16

  The present disclosure provides NO-releasing guanidine-chromene conjugates, having the structure of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 10 , and L are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds of Formula (I); and methods useful for healing wounds, preventing and treating cancer, or treating actinic keratosis, cystic fibrosis, acne, or a disease mediated by arginine deficiency using a compound of Formula (I).

  本公开提供NO释放的胍基-色酮共轭物，具有以下结构的化学式(I)：其中R1、R2、R3、R4、R10和L如详细说明中定义；包含至少一种化合物的药物组合物的制剂；以及使用化合物(I)治愈伤口、预防和治疗癌症、或治疗日光性角化症、囊性纤维化、痤疮或由精氨酸缺乏介导的疾病的有用方法。
• Substituted benzopyran analogs for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US06077850A1

  公开（公告）日：2000-06-20

  A class of benzopyrans, benzothiopyrans, dihydroquinolines, dihydronaphthalenes, and analogs thereof, is described for use in treating cyclooxygenase-2 mediated disorders. Compounds of particular interest are defined by Formula I'wherein X, A.sup.1, A.sup.2, A.sup.3, A.sup.4, R, R", R.sup.1 and R.sup.2 are as described in the specification.

  描述了一类苯并吡喃、苯并硫吡喃、二氢喹啉、二氢萘和其类似物，用于治疗环氧化酶-2介导的疾病。特别感兴趣的化合物由Formula I'定义，其中X、A.sup.1、A.sup.2、A.sup.3、A.sup.4、R、R"、R.sup.1和R.sup.2如规范中所述。