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(3-bromo-phenyl)-(2,10-dioxa-6-thia-14,16-diaza-tricyclo[9.8.0.0(13,18)]nonadeca-1(11),12,14,16,18-pentaen-17-yl)-amine

中文名称
——
中文别名
——
英文名称
(3-bromo-phenyl)-(2,10-dioxa-6-thia-14,16-diaza-tricyclo[9.8.0.0(13,18)]nonadeca-1(11),12,14,16,18-pentaen-17-yl)-amine
英文别名
N-(3-bromophenyl)-2,10-dioxa-6-thia-14,16-diazatricyclo[9.8.0.013,18]nonadeca-1(11),12,14,16,18-pentaen-17-amine
(3-bromo-phenyl)-(2,10-dioxa-6-thia-14,16-diaza-tricyclo[9.8.0.0(13,18)]nonadeca-1(11),12,14,16,18-pentaen-17-yl)-amine化学式
CAS
——
化学式
C20H20BrN3O2S
mdl
——
分子量
446.368
InChiKey
UAUYDWVTYSZYGT-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

计算性质

  • 辛醇/水分配系数(LogP):
    5.2
  • 重原子数:
    27
  • 可旋转键数:
    2
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    81.6
  • 氢给体数:
    1
  • 氢受体数:
    6

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors
    申请人:——
    公开号:US20040048883A1
    公开(公告)日:2004-03-11
    The present invention is directed to a compound having the structure 1 wherein A is a 7-18 membered ring that comprises 0 to 6 heteroatoms selected from O, S, and N; R 1 is selected from the group consisting of hydrogen, halogen, substituted or unsubstituted C 1-8 alkyl, substituted or unsubstituted C 2-8 alkenyl, substituted or unsubstituted C 2-8 alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, and substituted or unsubstituted heterocyclyl; m is an integer from 0 to 3; X is selected from the group consisting of NR 2 , CHR 3 , O, or S; wherein R 2 and R 3 are each individually H or C 1-8 alkyl; R is selected from the group consisting of unsubstituted aryl, and substituted or unsubstituted heteroaryl, substituted or unsubstituted aryl-(C 1-3 )alkyl, substituted or unsubstituted aryl-(C 3-7 )cycloalkyl, substituted or unsubstituted heteroaryl-(C 1-3 )alkyl, and substituted or unsubstituted heteroaryl-(C 3-7 )cycloalkyl; and pharmaceutically acceptable salts thereof; with the proviso that if A is a 7 or 8 membered ring, then R 1 is selected from the group consisting of other than H, C 1 -C 4 alkyl, (C 1 -C 4 alkoxy)C 1 -C 4 alkyl, C 1 -C 4 alkanoyl, C 1 -C 4 alkoxy or —S(O) x (C 1 -C 4 alkyl) wherein x is 0 to 2, and wherein said alkyl group and the alkyl moieties of said R 1 groups are optionally substituted by 1 to 3 halogens. The present invention is also directed to pharmaceutical compositions comprising the above compound, and methods of treating patients suffering from tyrosine kinase-mediated disorders using the above compound.
    本发明涉及一种具有以下结构的化合物1,其中A是一个由0到6个选自O、S和N的杂原子组成的7-18元环;R1选自氢、卤素、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的芳基、取代或未取代的杂芳基和取代或未取代的杂环基;m是0到3的整数;X选自NR2、CHR3、O或S;其中R2和R3各自独立地选自H或C1-8烷基;R选自未取代的芳基和取代或未取代的杂芳基、取代或未取代的芳基-(C1-3)烷基、取代或未取代的芳基-(C3-7)环烷基、取代或未取代的杂芳基-(C1-3)烷基和取代或未取代的杂芳基-(C3-7)环烷基;以及其药学上可接受的盐;但前提是如果A是一个7或8元环,则R1选自不包括H、C1-C4烷基、(C1-C4烷氧基)C1-C4烷基、C1-C4酰基、C1-C4烷氧基或—S(O)x(C1-C4烷基),其中x为0到2,且所述烷基和所述R1基的烷基部分可以选自1到3个卤素替代。本发明还涉及包含上述化合物的制药组合物以及使用上述化合物治疗酪氨酸激酶介导的疾病的患者的方法。
  • Fused quinazoline derivatives useful as tyrosine kinase inhibitors
    申请人:Beta Pharma, Inc.
    公开号:US07078409B2
    公开(公告)日:2006-07-18
    The present invention is directed to a compound having the structure wherein A is a 7–18 membered ring that comprises 0 to 6 heteroatoms selected from O, S, and N; R1 is selected from the group consisting of hydrogen, halogen, substituted or unsubstituted C1-8alkyl, substituted or unsubstituted C2-8alkenyl, substituted or unsubstituted C2-8alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, and substituted or unsubstituted heterocyclyl; m is an integer from 0 to 3; X is selected from the group consisting of NR2, CHR3, O, or S; wherein R2 and R3 are each individually H or C1-8alkyl; R is selected from the group consisting of unsubstituted aryl, and substituted or unsubstituted heteroaryl, substituted or unsubstituted aryl-(C1-3)alkyl, substituted or unsubstituted aryl-(C3-7)cycloalkyl, substituted or unsubstituted heteroaryl-(C1-3)alkyl, and substituted or unsubstituted heteroaryl-(C3-7)cycloalkyl; and pharmaceutically acceptable salts thereof; with the proviso that if A is a 7 or 8 membered ring, then R1 is selected from the group consisting of other than H, C1–C4 alkyl, (C1–C4 alkoxy)C1–C4 alkyl, C1–C4 alkanoyl, C1–C4 alkoxy or —S(O)x(C1–C4 alkyl) wherein x is 0 to 2, and wherein said alkyl group and the alkyl moieties of said R1 groups are optionally substituted by 1 to 3 halogens. The present invention is also directed to pharmaceutical compositions comprising the above compound, and methods of treating patients suffering from tyrosine kinase-mediated disorders using the above compound.
    本发明涉及一种化合物,其结构为:其中A是由0到6个来自O、S和N的杂原子组成的7-18个成员环;R1选择自羟基、卤素、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的芳基、取代或未取代的杂芳基和取代或未取代的杂环基的群;m是0到3的整数;X选择自NR2、CHR3、O或S;其中R2和R3各自单独选择自H或C1-8烷基;R选择自未取代的芳基和取代或未取代的杂芳基、取代或未取代的芳基-(C1-3)烷基、取代或未取代的芳基-(C3-7)环烷基、取代或未取代的杂芳基-(C1-3)烷基和取代或未取代的杂芳基-(C3-7)环烷基;以及其药学上可接受的盐;但是,如果A是7或8个成员环,则R1选择自C1-C4烷基、(C1-C4烷氧基)C1-C4烷基、C1-C4烷酰基、C1-C4烷氧基或-S(O)x(C1-C4烷基),其中x为0到2,且所述烷基和所述R1基团的烷基部分可以选择性地被1到3个卤素取代。本发明还涉及包含上述化合物的药物组合物以及使用上述化合物治疗酪氨酸激酶介导的疾病的患者的方法。
  • US7078409B2
    申请人:——
    公开号:US7078409B2
    公开(公告)日:2006-07-18
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