4-(2,3,5,6-tetrafluoro-3'-trifluoromethoxy-biphenyl-4-ylcarbamoyl)-2,5-dihydrothiophene-3-carboxylic acid

• 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-(2,3,5,6-tetrafluoro-3'-trifluoromethoxy-biphenyl-4-ylcarbamoyl)-2,5-dihydrothiophene-3-carboxylic acid
• 英文别名: 4-[[2,3,5,6-Tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]-2,5-dihydrothiophene-3-carboxylic acid
• 化学式: C₁₉H₁₀F₇NO₄S
• 分子量: 481.348
• InChiKey: ZCGVADUBWSUANX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-氧四氢噻酚-3-羧酸甲酯 在 盐酸 、 乙酸酐 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 32.0h， 生成 4-(2,3,5,6-tetrafluoro-3'-trifluoromethoxy-biphenyl-4-ylcarbamoyl)-2,5-dihydrothiophene-3-carboxylic acid
  参考文献：
  名称：

  SAR, species specificity, and cellular activity of cyclopentene dicarboxylic acid amides as DHODH inhibitors

  摘要：

  Novel DHODH inhibitors were developed based on a previously described series by introduction of heteroatoms into the cyclopentene ring and hydroxyl groups attached to it. Also, the hydrophobic biphenyl side chain was replaced with benzyloxy phenyl groups. Activities on human, rat, and mouse enzymes indicate a species specificity of these inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.053

文献信息

• DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS
  申请人：Panoptes Pharma Ges.m.b.H.

  公开号：EP2427186B1

  公开（公告）日：2022-01-12
• COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE
  申请人：4SC AG

  公开号：EP2362771A1

  公开（公告）日：2011-09-07
• NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES
  申请人：Genzyme Corporation

  公开号：EP3071199A2

  公开（公告）日：2016-09-28
• ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS
  申请人：VITT Daniel

  公开号：US20100280081A1

  公开（公告）日：2010-11-04

  The present invention relates to compounds of the general formula (I) and salts and physiologically functional derivatives thereof, for the use as a medicament.
• COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE
  申请人：Gröppel Manfred

  公开号：US20120028985A1

  公开（公告）日：2012-02-02

  The present invention relates to the treatment and prevention of immunological and inflammatory disorders with a compound of formula (I) in combination with methotrexate,