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2-乙酰氨基-6-溴-4-(1,2,4-三唑基)-喹唑啉 | 1003025-27-1

中文名称
2-乙酰氨基-6-溴-4-(1,2,4-三唑基)-喹唑啉
中文别名
——
英文名称
2-acetamido-6-bromo-4-(1,2,4-triazolyl)-quinazoline
英文别名
N-[6-bromo-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
2-乙酰氨基-6-溴-4-(1,2,4-三唑基)-喹唑啉化学式
CAS
1003025-27-1
化学式
C12H9BrN6O
mdl
——
分子量
333.147
InChiKey
VCBUDDYASXFQSI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 密度:
    1.81±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    20
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.08
  • 拓扑面积:
    85.6
  • 氢给体数:
    1
  • 氢受体数:
    5

反应信息

点击查看最新优质反应信息

文献信息

  • 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 AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS
    申请人:Gao Ling-Jie
    公开号:US20100143299A1
    公开(公告)日:2010-06-10
    This invention provides the treatment of viral infections with a 4,6-disubstituted or 2,4,6-trisubstituted quinazoline derivative represented by the structural formula [(I)] wherein: R 2 is selected from the group consisting of hydrogen, NR′R″ and C 1-7 alkyl; —A is selected from the group consisting of a bond, O, S(O) n , C 1-7 alkylene, C 2-7 alkenylene and C 2-7 alkynylene; R 4 is selected from the group consisting of C 1-7 alkyl, C 2-7 alkenyl, C 3-10 cycloalkyl, C 3-10 cycloalkenyl, aryl, heterocyclic, arylalkyl, heterocyclic-substituted alkyl and cycloalkyl-alkyl; —Y is selected from the group consisting of a single bond, C 1-7 alkylene, C 2-7 alkenylene, and C 2-7 alkynylene; n is 0, 1 or 2; and R 6 is selected from the group consisting of halogen, heteroaryl and aryl; a pharmaceutically acceptable addition salt, a stereoisomer, a mono- or a di-Λ/-oxide, a solvate or a pro-drug thereof.
    本发明提供了一种使用4,6-二取代或2,4,6-三取代喹唑啉衍生物的治疗病毒感染的方法,其结构式表示为[(I)],其中:R2选自氢、NR′R″和C1-7烷基的组;—A选自键、O、S(O)n、C1-7烷基、C2-7烯基和C2-7炔基的组;R4选自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、杂环取代烷基和环烷基-烷基的组;—Y选自单键、C1-7烷基、C2-7烯基和C2-7炔基的组;n为0、1或2;R6选自卤素、杂芳基和芳基的组;以及其药学上可接受的加合物盐、立体异构体、单-或双-Λ/-氧化物、溶剂化合物或前药。
  • 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。
  • WO2008/9078
    申请人:——
    公开号:——
    公开(公告)日:——
  • US8673929B2
    申请人:——
    公开号:US8673929B2
    公开(公告)日:2014-03-18
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