4-[2-(2,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyrrol-1-yl]benzenesulfonamide | 1263469-99-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-[2-(2,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyrrol-1-yl]benzenesulfonamide
• 英文别名: 4-[2-(2,5-Dimethylphenyl)-4-(trifluoromethyl)pyrrol-1-yl]benzenesulfonamide
• CAS: 1263469-99-3
• 化学式: C₁₉H₁₇F₃N₂O₂S
• 分子量: 394.417
• InChiKey: VWMLKJBBJYTQAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  73.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-sulfamoylphenyl)-4-(trifluoromethyl)-1H-pyrrol-2-yl trifluoromethanesulfonate 、 2,5-二甲基苯硼酸 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以21%的产率得到4-[2-(2,5-dimethylphenyl)-4-(trifluoromethyl)-1H-pyrrol-1-yl]benzenesulfonamide
  参考文献：
  名称：

  [EN] ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS
  [FR] COMPOSÉS DE 1,2-DIPHÉNYLPYRROLE ANTITUMORAUX ET LEUR PROCÉDÉ DE PRÉPARATION

  摘要：

  本发明涉及一种新的1,2-二苯基吡咯系列化合物，其化学式为(I)，或其药学上可接受的盐或可药学上接受的溶剂，具有抗肿瘤活性，其中R1和R2分别选自卤素、可选取代的O(C1-C4)烷基和可选取代的(C1-C4)烷基；R3选自H、(C1-C4)烷基、CONH2和(C=NH)NH2。本发明还涉及制备它们的方法、含有它们的药物组合物，以及它们用于治疗癌症，特别是肺癌、结直肠癌、乳腺癌和/或前列腺癌的用途。

  公开号：

  WO2011012660A1

文献信息

• Antitumor 1,2-diphenylpyrrole compounds and their preparation process
  申请人：Argon Pharma S.L.

  公开号：EP2284154A1

  公开（公告）日：2011-02-16

  The present invention relates to a new series of 1,2-diphenylpyrroles of formula (I) or their pharmaceutically acceptable salts, or th pharmaceutically acceptable solvates, having antitumor activity, wherein R1 and R2 are individually selected from the group consisting of halogen, optionally substituted O(C1-C4)alkyl and optionally substituted (C1-C4)alkyl; and R3 is selected from the group consisting of H, (C1-C4)alkyl, CONH2 and (C=NH)NH2. It also relates to a process for preparing them, to pharmaceutical compositions containing them, and to their use for the treatment of cancer, in particular lung carcinoma, colorectal carcinoma, breast carcinoma and/or prostate carcinoma.

  本发明涉及一系列新的具有抗肿瘤活性的式(I)的1,2-二苯基吡咯或它们的药学上可接受的盐或它们的药学上可接受的溶解物，其中R1和R2各自选自由卤素、任选取代的O(C1-C4)烷基和任选取代的(C1-C4)烷基组成的组；R3选自由H、(C1-C4)烷基、CONH2和(C＝NH)NH2组成的组。它还涉及制备它们的工艺、含有它们的药物组合物，以及它们在治疗癌症，特别是肺癌、结直肠癌、乳腺癌和/或前列腺癌中的用途。
• ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS
  申请人：Argon Pharma S.L.

  公开号：EP2459532A1

  公开（公告）日：2012-06-06
• Antitumor 1,2-Diphenylpyrrole Compounds and their Preparation Process
  申请人：Mangues Bafalluy Ramon

  公开号：US20120196915A1

  公开（公告）日：2012-08-02

  The present invention relates to a new series of 1,2-diphenylpyrroles of formula (I) or their pharmaceutically acceptable salts, or their pharmaceutically acceptable solvates, having antitumor activity, wherein R 1 and R 2 are individually selected from the group consisting of halogen, optionally substituted O(C 1 -C 4 )alkyl and optionally substituted (C 1 -C 4 )alkyl; and R 3 is selected from the group consisting of H, (C 1 -C 4 )alkyl, CONH 2 and (C═NH)NH 2 . It also relates to a process for preparing them, to pharmaceutical compositions containing them, and to their use for the treatment of cancer, in particular lung carcinoma, colorectal carcinoma, breast carcinoma and/or prostate carcinoma.
• [EN] ANTITUMOR 1,2-DIPHENYLPYRROLE COMPOUNDS AND THEIR PREPARATION PROCESS<br/>[FR] COMPOSÉS DE 1,2-DIPHÉNYLPYRROLE ANTITUMORAUX ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：ARGON PHARMA S L

  公开号：WO2011012660A1

  公开（公告）日：2011-02-03

  The present invention relates to a new series of 1,2-diphenylpyrroles of formula (I) or their pharmaceutically acceptable salts, or their pharmaceutically acceptable solvates, having antitumor activity, wherein R1 and R2 are individually selected from the group consisting of halogen, optionally substituted O(C1-C4)alkyl and optionally substituted (C1-C4)alkyl; and R3 is selected from the group consisting of H, (C1-C4)alkyl, CONH2 and (C=NH)NH2. It also relates to a process for preparing them, to pharmaceutical compositions containing them, and to their use for the treatment of cancer, in particular lung carcinoma, colorectal carcinoma, breast carcinoma and/or prostate carcinoma.

  本发明涉及一种新的1,2-二苯基吡咯系列化合物，其化学式为(I)，或其药学上可接受的盐或可药学上接受的溶剂，具有抗肿瘤活性，其中R1和R2分别选自卤素、可选取代的O(C1-C4)烷基和可选取代的(C1-C4)烷基；R3选自H、(C1-C4)烷基、CONH2和(C=NH)NH2。本发明还涉及制备它们的方法、含有它们的药物组合物，以及它们用于治疗癌症，特别是肺癌、结直肠癌、乳腺癌和/或前列腺癌的用途。