5,6-dimethyl-3H-quinazolin-4-one | 874497-75-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5,6-dimethyl-3H-quinazolin-4-one
• 英文别名: 5,6-Dimethyl-3H-chinazolin-4-on；5,6-dimethyl-3H-quinazolin-4-one
• CAS: 874497-75-3
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: FLHMHLGNDAAQBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  362.9±52.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,6-dimethyl-3H-quinazolin-4-one 在 氢溴酸 、 sodium methylate 作用下， 生成 3-[3-(3-hydroxy-[2]piperidyl)-2-oxo-propyl]-5,6-dimethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XV. SYNTHESIS OF 5-, 6-, 7-, AND 8-DERIVATIVES WITH TWO IDENTICAL SUBSTITUENTS

  摘要：

  DOI：

  10.1021/jo01135a015
• 作为产物：
  描述：

  hydroxyimino-acetic acid-(3,4-dimethyl-anilide) 在 sodium hydroxide 、 硫酸 、 双氧水 作用下， 生成 5,6-dimethyl-3H-quinazolin-4-one
  参考文献：
  名称：

  AN ANTIMALARIAL ALKALOID FROM HYDRANGEA. XV. SYNTHESIS OF 5-, 6-, 7-, AND 8-DERIVATIVES WITH TWO IDENTICAL SUBSTITUENTS

  摘要：

  DOI：

  10.1021/jo01135a015

文献信息

• [EN] PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE SUBSTITUÉS PAR PIPÉRIDIN, AYANT UNE ACTIVITÉ INHIBITRICE SUR LA RÉPLICATION DU VIRUS RESPIRATOIRE SYNCYTIAL (RSV)
  申请人：JANSSEN SCIENCES IRELAND UC

  公开号：WO2016091774A1

  公开（公告）日：2016-06-16

  The invention concerns novel substituted bicyclic pyrazolo pyrimidine compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns the preparation of such novel compounds, compositions comprising these compounds, and the compounds for use in the treatment of respiratory syncytial virus infection.

  这项发明涉及具有抗病毒活性的新型取代的双环吡唑嘧啶化合物，特别是对呼吸道合胞病毒（RSV）复制具有抑制活性的化合物。该发明还涉及制备这种新型化合物，包含这些化合物的组合物，以及用于治疗呼吸道合胞病毒感染的化合物。
• Inhibitors of Checkpoint Kinases
  申请人：Arrington Kenneth L.

  公开号：US20090258852A1

  公开（公告）日：2009-10-15

  The instant invention provides for compounds which comprise benzoisoquinolinones and aza derivatives that inhibit CHK1 activity. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting CHK1 activity by administering the compound to a patient in need of treatment of cancer.

  本发明提供了一种由苯并异喹啉酮和氮杂衍生物组成的化合物，其抑制CHK1活性。本发明还提供了包含这种抑制剂化合物的组合物以及通过将该化合物用于需要治疗癌症的患者来抑制CHK1活性的方法。
• [EN] SPIRO RING-CONTAINING QUINAZOLINE COMPOUND<br/>[FR] COMPOSÉ DE QUINAZOLINE CONTENANT UN CYCLE SPIRO<br/>[ZH] 含螺环的喹唑啉化合物
  申请人：WIGEN BIOMEDICINE TECH SHANGHAI CO LTD

  公开号：WO2021129820A1

  公开（公告）日：2021-07-01

  本发明涉及一类含螺环的喹唑啉化合物，及其制备方法和该类化合物作为K-Ras G12C抑制剂在制备抗肿瘤药物中的用途。(1), (2), (3)
• PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)
  申请人：Janssen Sciences Ireland UC

  公开号：US20170349591A1

  公开（公告）日：2017-12-07

  The invention concerns novel substituted bicyclic pyrazolo pyrimidine compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns the preparation of such novel compounds, compositions comprising these compounds, and the compounds for use in the treatment of respiratory syncytial virus infection.
• SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF
  申请人：Sunshine Lake Pharma Co., Ltd.

  公开号：US20180215737A1

  公开（公告）日：2018-08-02

  The present invention relates quinazolinone compounds of Formula (I), as well as their preparation and uses, and further relates pharmaceutical compositions comprising these compounds and their uses; wherein the compounds or pharmaceutical compositions disclosed herein can be used for antagonizing the orexin receptor. The present invention also relates to uses of the compounds or pharmaceutical compositions in treating or preventing neurological and psychiatric disorders and diseases of the central nervous system in mammals, especially in humans.