7-nitro-l-oxo-3,4-dihydroisoquinolone | 611187-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 7-nitro-l-oxo-3,4-dihydroisoquinolone
• 英文别名: 7-nitro-4H-isoquinoline-1,3-dione；7-Nitroisoquinoline-1,3(2H,4H)-dione
• CAS: 611187-01-0
• 化学式: C₉H₆N₂O₄
• 分子量: 206.158
• InChiKey: ZMMZPBUDHFGBCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  476.0±45.0 °C(Predicted)
• 密度：
  1.503±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-nitro-l-oxo-3,4-dihydroisoquinolone 、 苯甲酰氯 在 palladium on activated charcoal 吡啶 、 selenium(IV) oxide 作用下， 以 乙酸乙酯 为溶剂， 反应 15.0h， 生成 N-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-benzamide
  参考文献：
  名称：

  ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF

  摘要：

  公开号：

  EP1640367B1
• 作为产物：
  描述：

  2-乙酸基-4-硝基苯甲酸 在 氨 作用下， 以 水 为溶剂， 反应 0.83h， 生成 7-nitro-l-oxo-3,4-dihydroisoquinolone
  参考文献：
  名称：

  ISOQUINOLINE -1,3,4-TRIONE, THE SYNTHETIC METHOD AND THE USE THEREOF

  摘要：

  公开号：

  EP1640367B1

文献信息

• Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof
  申请人：Nan Fajun

  公开号：US20060135557A1

  公开（公告）日：2006-06-22

  The invention relates to various substituted isoquinoline-1,3,4-trione, the synthetic method thereof and the use for treating neurodegenerative diseases, especially as the medicine for Alzheimer's disease, apoplexy and brain ischemic injuries.

  该发明涉及多种取代的异喹啉-1,3,4-三酮，其合成方法以及用于治疗神经退行性疾病，特别是作为治疗阿尔茨海默病、中风和脑缺血损伤的药物。
• Substituted bicyclic quinazolin-4-ylamine derivatives
  申请人：Bakthavatchalam Rajagopal

  公开号：US20070105865A1

  公开（公告）日：2007-05-10

  Substituted bicyclic quinazolin-4-ylamine derivatives are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  本发明提供了取代的二环喹唑啉-4-胺衍生物。这些化合物是配体，可用于体内或体外调节特定受体活性，并在治疗与人类、家畜伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。还提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的此类配体的使用方法。
• Bicyclic compounds useful as platelet aggregation inhibitors
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0709370A1

  公开（公告）日：1996-05-01

  The invention relates to a novel compound which is represented by the formula (1) and has an excellent platelet aggregation inhibiting action based on fibrinogen antagonism. The platelet aggregation inhibitor containing the compound of the formula (1) as an effective ingredient is effective for prevention and therapy of thrombosis and restenosis or reocclusion after percutaneous transluminal coronary angioplasty or percutaneous transluminal coronary recanalization.

  本发明涉及一种新型化合物，该化合物由式（1）表示，在纤维蛋白原拮抗作用的基础上具有优异的血小板聚集抑制作用。含有式（1）化合物作为有效成分的血小板聚集抑制剂可有效预防和治疗血栓形成以及经皮腔内冠状动脉成形术或经皮腔内冠状动脉再通术后的再狭窄或再闭塞。
• Heterocyclic compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US10000488B2

  公开（公告）日：2018-06-19

  The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.

  本发明的问题在于提供一种化合物，该化合物具有优异的 RORγt 抑制作用，可用作牛皮癣、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗药物。本发明涉及一种由式（I）代表的化合物： [其中各符号如说明书所述]或其盐，具有 RORγt 抑制作用，可用作牛皮癣、炎症性肠病、溃疡性结肠炎、克罗恩病、类风湿性关节炎、多发性硬化症、葡萄膜炎、哮喘、强直性脊柱关节炎、系统性红斑狼疮、慢性阻塞性肺病或类似疾病的预防或治疗剂。
• HETEROCYCLIC COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20170253591A1

  公开（公告）日：2017-09-07

  The problem of the present invention is to provide a compound having a superior RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like. The present invention relates to a compound represented by the formula (I): [wherein each symbol is as described in the DESCRIPTION] or a salt thereof, which has an RORγt inhibitory action, and useful as a prophylactic or therapeutic agent for psoriasis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, rheumatoid arthritis, multiple sclerosis, uveitis, asthma, ankylopoietic spondylarthritis, systemic lupus erythematosus, chronic obstructive pulmonary disease or the like.