7-bromo-3-methylquinazolin-4(3H)-one | 1293987-84-4

• 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: 7-bromo-3-methylquinazolin-4(3H)-one
• 英文别名: 7-bromo-3-methylquinazolin-4-one
• CAS: 1293987-84-4
• 化学式: C₉H₇BrN₂O
• mdl: MFCD20257650
• 分子量: 239.071
• InChiKey: IFLDEWORNSLMPE-UHFFFAOYSA-N

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：
  0.111
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-bromo-3-methylquinazolin-4(3H)-one 、 N⁴-((1S,4S)-4-N-tert-butoxycarbonylaminocyclohexyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 以80 %的产率得到7-((4-(((1S,4S)-4-aminocyclohexyl)amino)-5-(trifluoromethyl)-pyrimidin-2-yl)amino)-3-methylquinazolin-4(3H)-one
  参考文献：
  名称：

  Discovery of 2-Aminopyrimidine Derivatives as Potent Dual FLT3/CHK1 Inhibitors with Significantly Reduced hERG Inhibitory Activities

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00245
• 作为产物：
  描述：

  2-氨基-4-溴苯甲酸 在 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 7-bromo-3-methylquinazolin-4(3H)-one
  参考文献：
  名称：

  10.1021/acs.orglett.4c02825

  摘要：

  DOI：

  10.1021/acs.orglett.4c02825

文献信息

• [EN] SUBSTITUTED QUINOLINES AND THEIR USE AS MEDICAMENTS<br/>[FR] QUINOLÉINES SUBSTITUÉES ET LEUR UTILISATION COMME MÉDICAMENTS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013014060A1

  公开（公告）日：2013-01-31

  The invention relates to new substituted quinolines of formula (1) wherein R1 is a linear or branched C1-6-alkyl, wherein R1 may optionally be substituted by R3 which is selected from the group consisting of a three-, four-, five-, six- or seven-membered cycloalkl; a five-, six- or seven-membered, saturated heterocycle comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; and a five- or six-membered heteroaryl comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; wherein R3 may optionally be substituted further substituted as defined in claim 1 and wherein R2 is selected from the group consisting of halogen, phenyl, a five- or six-membered monocyclic heteroaryl comprising one, two or three heteroatoms each independently selected from the group consisting of N, S and O; a bicyclic, nine-, ten- or eleven-membered, either aromatic or non-aromatic, but not fully saturated heterocycle comprising one, two, three or four heteroatoms each independently selected from the group consisting of N, S and O; wherein R2 may optionally be further substituted as defined in claim 1, and their use in the preparation of medicaments for the treatment of disease such as asthma, COPD, allergic rhinitis, allergic dermatitis and rheumatoid arthritis.

  该发明涉及公式（1）中的新取代喹啉，其中R1是直链或支链的C1-6-烷基，其中R1可以选择性地被R3取代，R3选自以下组：三、四、五、六或七元环烷基；含有一个、两个或三个异原子（分别独立地选自N、S和O）的五、六或七元饱和杂环；含有一个、两个或三个异原子（分别独立地选自N、S和O）的五元或六元杂芳基；其中R3可以选择性地进一步取代，如权利要求书中所定义，R2选自以下组：卤素、苯基、含有一个、两个或三个异原子（分别独立地选自N、S和O）的五元或六元单环杂芳基；含有一个、两个、三或四个异原子（分别独立地选自N、S和O）的九、十或十一元双环芳香或非芳香但不完全饱和杂环；其中R2可以选择性地进一步取代，如权利要求书中所定义，并且它们在制备用于治疗哮喘、慢性阻塞性肺病、过敏性鼻炎、过敏性皮炎和类风湿性关节炎等疾病的药物中的用途。
• [EN] ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS<br/>[FR] ARYLSULFONAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE STAT3 À PETITES MOLÉCULES
  申请人：UNIV HAWAII

  公开号：WO2021016333A1

  公开（公告）日：2021-01-28

  The present disclosure provides pharmaceutical compositions comprising aryl sulfonamide Stat3 small molecule inhibitors and certain pharmaceutically acceptable salts thereof, and methods of their use for treating cancer.

  本公开提供了含有芳基磺酰胺Stat3小分子抑制剂及其某些药用可接受盐的药物组合物，并其治疗癌症的使用方法。
• Substituted Quinolines and Their Use As Medicaments
  申请人：HOFFMANN Matthias

  公开号：US20130029949A1

  公开（公告）日：2013-01-31

  Disclosed are substituted quinolines of formula 1 wherein R 1 and R 2 are defined herein, the processing of making and using the same.

  揭示了公式1的取代喹啉，其中R1和R2在此处定义，以及制备和使用它们的方法。
• 2,7-SUBSTITUTED THIENO[3,2-D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Sim Tae Bo

  公开号：US20120277424A1

  公开（公告）日：2012-11-01

  Disclosed are a 2,7-substituted thieno[3,2-d]pyrimidine compound having a protein kinase inhibition activity, a pharmaceutically acceptable salt, and a pharmaceutical composition for prevention and treatment of diseases caused by abnormal cell growth comprising the compound as an effective ingredient. Since the novel 2,7-substituted thieno[3,2-d]pyrimidine compound exhibits superior inhibition activity against various protein kinases involved in growth factor signal transduction, it is useful as an agent for preventing or treating diseases caused by abnormal cell growth.

  揭示了一种具有蛋白激酶抑制活性的2,7-取代噻吩[3,2-d]嘧啶化合物，以及一种药用可接受的盐和药物组合物，用作预防和治疗由异常细胞生长引起的疾病，包括该化合物作为有效成分。由于这种新型的2,7-取代噻吩[3,2-d]嘧啶化合物对参与生长因子信号传导的各种蛋白激酶表现出卓越的抑制活性，因此它可用作预防或治疗由异常细胞生长引起的疾病的药物。
• Dairyl-substituted five-membered heterocycle derivative
  申请人：Hirata Yukari

  公开号：US20070173507A1

  公开（公告）日：2007-07-26

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由公式（I）所表示的化合物：（I）或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表公式（II-1）：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环代表苯基等，具有mGluR1抑制作用，适用于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性脑缺血发作、精神疾病如精神分裂症、焦虑、药物依赖、帕金森病或胃肠道疾病。