2-((2'-chloro-3,5-difluoro-[1,1'-biphenyl]-4-yl)carbamoyl)cyclopent-1-enecarboxylic 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: 2-((2'-chloro-3,5-difluoro-[1,1'-biphenyl]-4-yl)carbamoyl)cyclopent-1-enecarboxylic acid
• 英文别名: 2-(2''-Chloro-3,5-difluoro-biphenyl-4-ylcarbamoyl)-cyclopent-1-enecarboxylic acid；2-[[4-(2-chlorophenyl)-2,6-difluorophenyl]carbamoyl]cyclopentene-1-carboxylic acid
• 化学式: C₁₉H₁₄ClF₂NO₃
• 分子量: 377.775
• InChiKey: IGBAKGOYQQVKGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-溴-2,6-二氟苯胺 在 potassium fluoride 、 钯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 2-((2'-chloro-3,5-difluoro-[1,1'-biphenyl]-4-yl)carbamoyl)cyclopent-1-enecarboxylic acid
  参考文献：
  名称：

  Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement

  摘要：

  A novel series of DHODH inhibitors was developed based on a lead which was obtained by a docking procedure and a medicinal chemistry exploration. The activity of the initial lead was improved by a QSAR method to yield low nanomolar inhibitors. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.021

文献信息

• Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents
  申请人：4SC AG

  公开号：EP2093214A1

  公开（公告）日：2009-08-26

  The present invention relates to compounds of the general formula (I); or salts thereof, as anti-inflammatory, immunomodulatory and anti-proliferatory agents.

  本发明涉及通式（I）化合物或其盐类，可作为抗炎、免疫调节和抗增殖剂。
• NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS
  申请人：4SC AG

  公开号：EP2588446B1

  公开（公告）日：2015-09-09
• Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents
  申请人：AMMENDOLA Aldo

  公开号：US20120029034A1

  公开（公告）日：2012-02-02

  The present invention relates to calcium salts of compounds of the general formula (I) wherein X is selected from the group consisting of CH 2 , S, or O; D is O or S; R 8 is hydrogen or alkyl; E is an optionally substituted phenylene group; Y is a monocyclic or bicyclic substituted or unsubstituted 6-9 membered ring system which may contain one or more heteroatoms selected from N or S and which contains at least one aromatic ring; n is 0 or 1, and q is 0 or 1; with the proviso that compounds wherein X═CH 2 , q=0, Y=unsubstituted phenyl and E=unsubstituted phenylene are excluded; or a hydrate thereof.
• Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents
  申请人：AMMENDOLA Aldo

  公开号：US20120035175A1

  公开（公告）日：2012-02-09

  The present invention relates to a salt selected from the group comprising the N-methyl-D-glucamine salt (NMG), the diethylamine salt (DEA) salt, the magnesium salt, the tromethamine salt, the choline salt, the L-arginine salt, the zinc salt, and the 4-(2-hydroxyethyl)morpholine (HEM) salt of compounds of the general formula (I) wherein X is selected from the group consisting of CH 2 , S, or O; D is O or S; R 8 is hydrogen or alkyl; E is an optionally substituted phenylene group; Y is a monocyclic or bicyclic substituted or unsubstituted 6-9 membered ring system which may contain one or more heteroatoms selected from N or S and which contains at least one aromatic ring; n is 0 or 1; and q is 0 or 1; with the proviso that compounds wherein X═CH 2 , q=0, Y=unsubstituted phenyl and E=unsubstituted phenylene are excluded; or a hydrate thereof.
• NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES
  申请人：GENZYME CORPORATION

  公开号：US20160287549A1

  公开（公告）日：2016-10-06

  The invention relates to dihydroorate dehydrogenase (DHODH) inhibitors useful for the treatment of neurodegenerative diseases, such as amyotrophic lateral sclerosis.