[(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-methylene]-malonic acid diethyl ester | 23796-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: [(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-methylene]-malonic acid diethyl ester
• 英文别名: Diethyl [(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]propanedioate；diethyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methylidene]propanedioate
• CAS: 23796-63-6
• 化学式: C₁₆H₁₉NO₆
• mdl: MFCD01610178
• 分子量: 321.33
• InChiKey: IGHCQNBHMRFJOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-methylene]-malonic acid diethyl ester 在 三氯氧磷 作用下， 生成 9-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of Naphthyridines

  摘要：

  DOI：

  10.1007/bf00764537
• 作为产物：
  描述：

  6-氨基-1,4-苯并二氧杂环 、 乙氧基甲叉丙二酸二乙酯 生成 [(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-methylene]-malonic acid diethyl ester
  参考文献：
  名称：

  MIXAJLITSYN F. S.; BEXLI A. F., XIMIYA GETEROTSIKL. SOEDIN. , 1975, HO 12, 1663-1665

  摘要：

  DOI：

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
• 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.