6-chloro-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester | 1065094-09-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-chloro-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
• 英文别名: ethyl 6-chloro-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate；6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid ethyl ester；Ethyl 6-chloro-7-fluoro-4-hydroxyquinoline-3-carboxylate；ethyl 6-chloro-7-fluoro-4-oxo-1H-quinoline-3-carboxylate
• CAS: 1065094-09-8
• 化学式: C₁₂H₉ClFNO₃
• mdl: MFCD26333963
• 分子量: 269.66
• InChiKey: JYSGXHURLLJLIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-chloro-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 在 三氯氧磷 作用下， 以 二苯醚 为溶剂， 反应 2.0h， 以96.72%的产率得到ethyl 4,6-dichloro-7-fluoroquinoline-3-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1
  [FR] COMPOSÉS POUR LA DÉGRADATION DE BRD9 OU MTH1

  摘要：

  提供了通过泛素蛋白酶体途径降解BRD9或MTH1的化合物，用于治疗需要的受体。提供的化合物具有与BRD9或MTH1的靶向配体相连的E3泛素连接酶靶向基团（Degron）。

  公开号：

  WO2020051235A1
• 作为产物：
  描述：

  4-氯-3-氟苯胺 、 乙氧基甲叉丙二酸二乙酯 以 二苯醚 为溶剂， 反应 8.0h， 以53.98%的产率得到6-chloro-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1
  [FR] COMPOSÉS POUR LA DÉGRADATION DE BRD9 OU MTH1

  摘要：

  提供了通过泛素蛋白酶体途径降解BRD9或MTH1的化合物，用于治疗需要的受体。提供的化合物具有与BRD9或MTH1的靶向配体相连的E3泛素连接酶靶向基团（Degron）。

  公开号：

  WO2020051235A1

文献信息

• QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS
  申请人：Astex Therapeutics Limited

  公开号：EP3390384B1

  公开（公告）日：2021-09-15
• COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1
  申请人：C4 Therapeutics, Inc.

  公开号：EP3846800A1

  公开（公告）日：2021-07-14
• CHEMICAL COMPOUNDS
  申请人：GlaxoSmithKline Intellectual Property Development Limited

  公开号：US20210238162A1

  公开（公告）日：2021-08-05

  The present invention relates to compounds of Formula (XI): wherein R 1a , R 2a , R 3a , R 4a , R 5a , R 6a , and Aa are as defined herein, and pharmaceutically acceptable salts thereof. The compounds of the present invention are inhibitors of hematopoietic prostaglandin D synthase (H-PGDS) inhibitors and can be useful in the treatment of Duchenne Muscular Dystrophy. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting H-PGDS activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.
• [EN] QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS<br/>[FR] QUINOLÉINE-3-CARBOXAMIDES UTILISÉS COMME INHIBITEURS DE H-PGDS
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2017103851A1

  公开（公告）日：2017-06-22

  The present invention relates to compounds of Formula (XI) wherein R1a, R2a, R3a, R4a, R5a, R6a, and Aa are as defined herein, and pharmaceutically acceptable salts thereof. The compounds of the present invention are inhibitors of hematopoietic prostaglandin D synthase (H-PGDS) inhibitors and can be useful in the treatment of Duchenne Muscular Dystrophy. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting H-PGDS activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.