二氮杂萘-1-羧酸 | 801161-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 二氮杂萘-1-羧酸
• 中文别名: 酞嗪-1-羧酸
• 英文名称: phthalazine-1-carboxylic acid
• 英文别名: 1-Carboxy-phthalazin
• CAS: 801161-36-4
• 化学式: C₉H₆N₂O₂
• 分子量: 174.159
• InChiKey: MLGFHJHBQIXXDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  二氮杂萘-1-羧酸 、 (2S,2'S)-N,N'-(4,4'-((E)-ethene-1,2-diyl)bis(4,1-phenylene))dipyrrolidine-2-carboxamide dihydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以15%的产率得到(2S,2'S)-N,N'-(4,4'-((E)-ethene-1,2-diyl)bis(4,1-phenylene))bis(1-(phthalazine-1-carbonyl)pyrrolidine-2-carboxamide)
  参考文献：
  名称：

  HCV NS5A Replication Complex Inhibitors. Part 4.1 Optimization for Genotype 1a Replicon Inhibitory Activity

  摘要：

  A series of symmetrical E-stilbene prolinamides that originated from the library-synthesized lead 3 was studied with respect to HCV genotype 1a (G-1a) and genotype 1b (G-1b) replicon inhibition and selectivity against BVDV and cytotoxicity. SAR emerging from an examination of the prolinamide cap region revealed 11 to be a selective HCV NS5A inhibitor exhibiting submicromolar potency against both G-1a and G-1b replicons. Additional structural refinements resulted in the identification of 30 as a potent, dual G-1a/1b HCV NS5A inhibitor.

  DOI：

  10.1021/jm301796k

文献信息

• PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS
  申请人：Andrews Mark David

  公开号：US20120258950A1

  公开（公告）日：2012-10-11

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药学上可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds
  申请人：Guiles Joseph

  公开号：US20120015941A1

  公开（公告）日：2012-01-19

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了一种具有有用的抗菌活性的新型酰胺和磺酰胺取代的杂环脲化合物。还提供了这些化合物作为药物组成物的使用和它们的制备方法。
• Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0002895A1

  公开（公告）日：1979-07-11

  This invention relates to enzyme inhibitory, novel phthalazin-4-ylacetic acid derivatives of the general formula wherein R1 is a hydroxy or benzyloxy radical, or a C1-4- alkoxy radical optionally bearing an N-morpholino or a C1-4-alkylamino radical, X is oxygen or sulfur, the rings A and B may be substituted, pharmaceutically acceptable salts as appropriate, to pharmaceutical compositions thereof, and to analogy processes for their manufacture. The compounds of formula I are inhibitors of the enzyme aldose reductase in vivo and as such may be useful in the reduction or prevention of the development of the peripheral effects such as macular oedema, cataract, retinopathy or impaired neural conduction. A preferred compound is 2-(2-fluoro-4-bromobenzyl)-1,2-dihydro-1-oxophthalazin-4- ylacetic acid.

  本发明涉及通式如下的酶抑制性新型酞嗪-4-基乙酸衍生物 其中 R1 是羟基或苄氧基，或 C1-4-烷氧基，可选带有 N-吗啉基或 C1-4-烷基氨基，X 是氧或硫，环 A 和 B 可被取代，适当的药学上可接受的盐，其药物组合物，以及生产它们的类比工艺。式 I 的化合物是体内醛糖还原酶的抑制剂，因此可用于减少或预防黄斑水肿、白内障、视网膜病变或神经传导受损等外周效应的发生。一种优选化合物是 2-（2-氟-4-溴苄基）-1,2-二氢-1-氧代酞嗪-4-乙酸。
• Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof
  申请人：SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD

  公开号：US10174023B2

  公开（公告）日：2019-01-08

  The present invention relates to heterocyclic-imidazole derivatives, a preparation method therefor, and a medical use thereof, and particularly to new heterocyclic-imidazole derivatives as represented by general formula (I), a preparation method therefor, pharmaceutical compositions comprising same, and a use thereof as a therapeutic agent, particularly as a poly(ADP-ribose)polymerase (PARP) inhibitor.

  本发明涉及杂环咪唑衍生物、其制备方法及其医疗用途，特别是通式（I）所代表的新杂环咪唑衍生物、其制备方法、包含其的药物组合物及其作为治疗剂的用途，尤其是作为聚（ADP-核糖）聚合酶（PARP）抑制剂的用途。
• HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Shanghai Huilun Life Science & Technology Co., Ltd

  公开号：EP3284743B1

  公开（公告）日：2022-07-06