2-喹唑啉酮-4-甲酸 | 99066-77-0

• 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: 2-喹唑啉酮-4-甲酸
• 英文名称: 2-oxoquinazoline-4-carboxylic acid
• 英文别名: 2-oxo-1,2-dihydroquinazolin-4-carboxylic acid；2-Hydroxy-chinazolin-4-carbonsaeure；2-oxo-1,2-dihydro-quinazoline-4-carboxylic acid；2-Oxo-1,2-dihydroquinazoline-4-carboxylic acid；2-oxo-1H-quinazoline-4-carboxylic acid
• CAS: 99066-77-0
• 化学式: C₉H₆N₂O₃
• mdl: MFCD00578120
• 分子量: 190.158
• InChiKey: JMRRYHBZGAQICA-UHFFFAOYSA-N

物化性质

• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 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：
  78.8
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2927000090

反应信息

• 作为反应物：
  描述：

  2-喹唑啉酮-4-甲酸 在 ammonium hydroxide 、 氯化亚砜 、 五氯化磷 、 N,N-二甲基甲酰胺 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 水 、 苯 为溶剂， 反应 22.0h， 生成 2-Chloroquinazoline-4-carbonitrile
  参考文献：
  名称：

  含氮多环化合物和使用其的有机电致发光器 件

  摘要：

  本发明公开了含氮多环化合物和包含所述化合物的有机电致发光器件。

  公开号：

  CN105601621B

文献信息

• Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof
  申请人：MAILLIET Patrick

  公开号：US20080153837A1

  公开（公告）日：2008-06-26

  This invention relates to derivatives of 4-(benzimidazol-2-yl)fluorene and 4-(azabenzimidazol-2-yl)fluorene, to pharmaceutical compositions comprising such derivatives, and to methods of treatment of disorders related to Hsp90 protein activity, comprising administering such derivatives.

  这项发明涉及4-(苯并咪唑-2-基)芴和4-(氮杂苯并咪唑-2-基)芴的衍生物，涉及包含这些衍生物的药物组合物，以及涉及治疗与Hsp90蛋白活性相关的疾病的方法，包括给予这些衍生物。
• Scouting Human A₃ Adenosine Receptor Antagonist Binding Mode Using a Molecular Simplification Approach: From Triazoloquinoxaline to a Pyrimidine Skeleton as a Key Study
  作者：Erika Morizzo、Francesca Capelli、Ombretta Lenzi、Daniela Catarzi、Flavia Varano、Guido Filacchioni、Fabrizio Vincenzi、Katia Varani、Pier Andrea Borea、Vittoria Colotta、Stefano Moro

  DOI：10.1021/jm070852a

  日期：2007.12.27

  The concept of molecular simplification as a drug design strategy to shorten synthetic routes, while keeping or enhancing the biological activity of the lead drug, has been applied to design new classes of human A(3) adenosine receptor (AR) antagonists. Over the past decade, we have focused a part of our research on the study of AR antagonists belonging to strictly correlated classes of tricyclic compounds. One of these classes is represented by the 2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives, either 4-amino or 4-oxosubstituted, which were intensively investigated by evaluating the effect of different substituents on the 2-phenyl ring and on the 4-amino group. Using an in silico molecular simplification approach, a new series of easily synthesizable 2-amino/2-oxoquinazoline-4-carboxamido derivatives have been discovered, presenting high affinity and selectivity against human A(3) AR.
• Metalloprotease inhibitors containing a squaramide moiety
  申请人：Bluhm Harald

  公开号：US20080221094A1

  公开（公告）日：2008-09-11

  The present invention relates generally to pharmaceutical agents containing a heterocyclic moiety, and in particular, to heterocyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterocyclic MMP-13 inhibiting compounds with a squaramide moiety, that exhibit an increased potency and selectivity in relation to currently known MMP-13 inhibitors.
• Metalloprotease inhibitors containing a heterocyclic moiety
  申请人：Gege Christian

  公开号：US20080221093A1

  公开（公告）日：2008-09-11

  The present invention relates generally to pharmaceutical agents containing a heterocyclic moiety, and in particular, to heterocyclic metalloprotease inhibiting compounds. More particularly, the present invention provides a new class of heterocyclic MMP-13 inhibiting compounds with a benzoxazinone moiety, that exhibit an increased potency and selectivity in relation to currently known MMP-13 inhibitors.
• NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME
  申请人：LG CHEM, LTD.

  公开号：US20160141518A1

  公开（公告）日：2016-05-19

  Disclosed are a nitrogen-containing polycyclic compound and an organic electroluminescent device including the same.