6-溴-4-(4-甲基-1-哌嗪基)喹唑啉 | 307538-54-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 6-溴-4-(4-甲基-1-哌嗪基)喹唑啉
• 英文名称: 6-bromo-4-(4-N-methylpiperazin-1-yl)quinazoline
• 英文别名: 6-Bromo-4-(4-methylpiperazin-1-yl)quinazoline
• CAS: 307538-54-1
• 化学式: C₁₃H₁₅BrN₄
• 分子量: 307.193
• InChiKey: RGRNAQFSIRFIOV-UHFFFAOYSA-N

物化性质

• 沸点：
  432.0±45.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 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：

  3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolylboronic acid 、 6-溴-4-(4-甲基-1-哌嗪基)喹唑啉 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF

  摘要：

  公开号：

  EP1382603B1
• 作为产物：
  描述：

  6-溴-4-羟基喹唑啉 在 吡啶 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 6-溴-4-(4-甲基-1-哌嗪基)喹唑啉
  参考文献：
  名称：

  UiO-66-NH₂ as an effective solid support for quinazoline derivatives for antibacterial agents against Gram-negative bacteria

  摘要：

  UiO-66-NH₂被用作有效的药物载体，用于控制对抗革兰氏阴性菌的抗菌剂喹唑啉的释放。

  DOI：

  10.1039/d1nj03749h

文献信息

• [EN] HETEROCYCLIC SULFONAMIDES AS RAF INHIBITORS<br/>[FR] SULFONAMIDES HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE RAF
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2012118492A1

  公开（公告）日：2012-09-07

  Compounds of Formula (I) are useful for inhibition of Raf kinases. Methods of using compounds of Formula (I), stereoisomers, tautomers and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  化合物的化学式（I）对于抑制Raf激酶很有用。本文披露了使用化合物的方法（I），立体异构体，互变异构体及其药用可接受的盐，用于体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理状况。
• 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS
  申请人：Gao Ling-Jie

  公开号：US20090285782A1

  公开（公告）日：2009-11-19

  This invention provides quinazoline derivatives represented by the structural formula: (I); wherein: R 2 is hydrogen, NR′R″, C 1-7 alkyl, arylC 1-7 alkyl or C 3-10 cycloalkyl; R 4 is amino, C 1-7 alkyl, C 2-7 alkenyl, C 3-10 cycloalkyl, C 3-10 cycloalkenyl, aryl, heterocyclic, arylalkyl, heterocyclic-substituted C 1-7 alkyl or C 3-10 cycloalkyl-C 1-7 alkyl; R 5 is hydrogen or C 1-7 alkyl, or R 5 and R 4 together with the nitrogen atom to which they are attached form a heterocyclic ring; Y is a single bond, C 1-7 alkylene, C 2-7 alkenylene or C 2-7 alkynylene; R 6 is halogen, heteroaryl or aryl; R′ and R″ are each independently hydrogen, C 1-7 alkyl-carbonyl or C 1-7 alkyl; provided that R 4 is not phenyl substituted with morpholino when R 2 is H and R 5 is H, and provided that when NR 4 R 5 is piperazinyl, said NR 4 R 5 is either non-substituted or substituted with methyl or acetyl; a pharmaceutically acceptable addition salt, a stereoisomer, a mono- or a di-N-oxide, a solvate or a pro-drug thereof, for the treatment of viral infections.

  该发明提供了由结构式(I)表示的喹唑啉衍生物；其中：R2是氢、NR′R″、C1-7烷基、芳基C1-7烷基或C3-10环烷基；R4是氨基、C1-7烷基、C2-7烯基、C3-10环烷基、C3-10环烯基、芳基、杂环、芳基烷基、杂环取代的C1-7烷基或C3-10环烷基-C1-7烷基；R5是氢或C1-7烷基，或者R5和R4与它们所连接的氮原子一起形成杂环环；Y是单键、C1-7烷基、C2-7烯基或C2-7炔基；R6是卤素、杂环芳基或芳基；R′和R″各自独立地是氢、C1-7烷基-羰基或C1-7烷基；前提是当R2为H且R5为H时，R4不是取代有吗啡啶基的苯基；当NR4R5是哌嗪基时，所述的NR4R5要么未取代，要么被甲基或乙酰基取代；其药学上可接受的加合物、立体异构体、单烯氮或双烯氮、溶剂化合物或前药，用于治疗病毒感染。
• 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections
  申请人：Gilead Sciences, Inc.

  公开号：US10882851B2

  公开（公告）日：2021-01-05

  This invention provides quinazoline derivatives represented by the structural formula: (I); wherein: R2 is hydrogen, NR′R″, C1-7 alkyl, arylC1-7 alkyl or C3-10 cycloalkyl; R4 is amino, C1-7 alkyl, C2-7 alkenyl, C3-10 cycloalkyl, C3-10 cycloalkenyl, aryl, heterocyclic, arylalkyl, heterocyclic-substituted C1-7 alkyl or C3-10 cycloalkyl-C1-7 alkyl; R5 is hydrogen or C1-7 alkyl, or R5 and R4 together with the nitrogen atom to which they are attached form a heterocyclic ring; Y is a single bond, C1-7 alkylene, C2-7 alkenylene or C2-7 alkynylene; R6 is halogen, heteroaryl or aryl; R′ and R″ are each independently hydrogen, C1-7 alkyl-carbonyl or C1-7 alkyl; provided that R4 is not phenyl substituted with morpholino when R2 is H and R5 is H, and provided that when NR4R5 is piperazinyl, said NR4R5 is either non-substituted or substituted with methyl or acetyl; a pharmaceutically acceptable addition salt, a stereoisomer, a mono- or a di-N-oxide, a solvate or a pro-drug thereof, for the treatment of viral infections.

  本发明提供了由结构式表示的喹唑啉衍生物：(I)；其中R2是氢、NR′R″、C1-7烷基、芳基C1-7烷基或C3-10环烷基；R4是氨基、C1-7烷基、C2-7烯基、C3-10环烷基、C3-10环烯基、芳基、杂环基、芳烷基、杂环基取代的C1-7烷基或C3-10环烷基-C1-7烷基；R5 是氢或 C1-7 烷基，或 R5 和 R4 与它们所连接的氮原子一起形成杂环；Y 是单键、C1-7 亚烷基、C2-7 亚烯基或 C2-7 亚炔基；R6是卤素、杂芳基或芳基；R′和R″各自独立地是氢、C1-7烷基-羰基或C1-7烷基；条件是当R2是H和R5是H时，R4不是被吗啉基取代的苯基，并且当NR4R5是哌嗪基时，所述NR4R5是非取代的或被甲基或乙酰基取代的；用于治疗病毒感染的药学上可接受的加成盐、立体异构体、单-或二-N-氧化物、溶 剂或原药。
• Potent inhibitors of Huntingtin protein aggregation in a cell-based assay
  作者：Alison Rinderspacher、Maria Laura Cremona、Yidong Liu、Shi-Xian Deng、Yuli Xie、Gangli Gong、Nathalie Aulner、Udo Többen、Katherine Myers、Caty Chung、Monique Andersen、Dušica Vidović、Stephan Schürer、Lars Brandén、Ai Yamamoto、Donald W. Landry

  DOI：10.1016/j.bmcl.2009.01.087

  日期：2009.3

  A quinazoline that decreases polyglutamine aggregate burden in a cell-based assay was identified from a high-throughput screen of a chemical-compound library, provided by the NIH Molecular Libraries Small Molecule Repository (MLSMR). A structure and activity study yielded leads with submicromolar potency. (C) 2009 Elsevier Ltd. All rights reserved.
• MODULATORS OF THE INTEGRATED STRESS PATHWAY
  申请人：Calico Life Sciences LLC

  公开号：EP3710428A1

  公开（公告）日：2020-09-23