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4-[2-(N,N-dimethylamino)ethoxy]benzaldehyde hydrochloride

中文名称
——
中文别名
——
英文名称
4-[2-(N,N-dimethylamino)ethoxy]benzaldehyde hydrochloride
英文别名
4-[2-(Dimethylamino)ethoxy]benzaldehyde;hydrochloride;4-[2-(dimethylamino)ethoxy]benzaldehyde;hydrochloride
4-[2-(N,N-dimethylamino)ethoxy]benzaldehyde hydrochloride化学式
CAS
——
化学式
C11H15NO2*ClH
mdl
——
分子量
229.707
InChiKey
RTHYDZPENDCPON-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):
    1.86
  • 重原子数:
    15
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    29.5
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    苯甲酰乙腈4-[2-(N,N-dimethylamino)ethoxy]benzaldehyde hydrochloride乙醇 为溶剂, 反应 18.0h, 以25%的产率得到(E)-2-Benzoyl-3-[4-(2-dimethylamino-ethoxy)-phenyl]-acrylonitrile; hydrochloride
    参考文献:
    名称:
    Synthesis and spasmolytic activity of 2-substituted-3-(.OMEGA.-dialkylaminoalkoxyphenyl)acrylonitriles and related compounds.
    摘要:
    合成了几种(Z)-2-(1,2-苯异噻唑-3-基)-3-[2-(2-哌嗪乙氧基)苯基]-丙烯腈(1a)的类似物,如(Z)-2-(1,2-苯异噻唑-3-基)-、(Z)-2-(1H-吲哚-3-基)-、(E)-2-(2-噻吩基)-和(E)-2-苯甲酰基-3-(ω-二烷基氨基醇苯基)丙烯腈(2-5),这些化合物是通过Knoevenagel缩合法合成的。去氰类似物(6)是通过Wittig反应制备的。将1与三乙基氨基甲酸盐还原得到二氢类似物(7)。对这些类似物的镇痉活性进行了研究。在这些化合物中,(Z)-2-(1,2-苯异噻唑-3-基)-3-[2-(2-哌嗪乙氧基)苯基]-丙烯腈(2a)和(Z)-2-(1,2-苯异噻唑-3-基)-3-[2-(2-吗啉乙氧基)苯基]-丙烯腈(2b)在体外和体内(小鼠)均表现出强效的抗痉挛活性。
    DOI:
    10.1248/cpb.31.2023
  • 作为产物:
    参考文献:
    名称:
    EP1612204
    摘要:
    公开号:
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文献信息

  • Hydrazone derivative
    申请人:Kawagoe Keiichi
    公开号:US20060276433A1
    公开(公告)日:2006-12-07
    A compound represented by the following formula (I): wherein R 1 represents hydrogen, aryl which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc.; R 2 represents hydrogen, aryl which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc.; R 3 represents hydrogen, etc.; Ar represents a divalent group derived from aromatic hydrocarbon, etc.; X represents a single bond, linear or branched alkylene having from 1 to 3 carbon atoms which may have a substituent, etc.; and G represents halogen, a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc., a salt thereof or a solvate thereof; and an agent for inhibiting aggregation and/or deposition of an amyloid protein or an amyloid-like protein, which comprises the compound, a salt thereof or a solvate thereof.
    以下是式子(I)所代表的化合物: 其中,R1代表氢、芳基(可能带有取代基)、饱和或不饱和的5-至7-成员杂环基(可能带有取代基)等; R2代表氢、芳基(可能带有取代基)、饱和或不饱和的5-至7-成员杂环基(可能带有取代基)等; R3代表氢等; Ar代表从芳香族碳氢化合物衍生的二价基团等; X代表单键、线性或支链烷基,具有1至3个碳原子,可能带有取代基等; G代表卤素、饱和或不饱和的5-或6-成员环烃基(可能带有取代基)、饱和或不饱和的5-至7-成员杂环基(可能带有取代基)等,其盐或溶剂化物;以及用于抑制淀粉样蛋白或类淀粉样蛋白的聚集和/或沉积的药剂,包括该化合物、其盐或溶剂化物。
  • Protein kinase inhibitors
    申请人:Shiotsu Yukimasa
    公开号:US20060281789A1
    公开(公告)日:2006-12-14
    The present invention provides a protein kinase inhibitor (excluding c-Jun N-terminal kinase inhibitor) which comprises, as an active ingredient, an indazole derivative represented by Formula (I) (wherein R 1 represents substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group) or a pharmaceutically acceptable salt thereof.
    本发明提供了一种蛋白激酶抑制剂(不包括c-Jun N末端激酶抑制剂),其包括以下作为活性成分的吲唑衍生物(式(I)所表示,其中R1代表取代或未取代的芳基或取代或未取代的杂环基)或其药学上可接受的盐。
  • HYDRAZONE DERIVATIVE
    申请人:DAIICHI PHARMACEUTICAL CO., LTD.
    公开号:EP1612204A1
    公开(公告)日:2006-01-04
    A compound represented by the following formula (I): wherein R1 represents hydrogen, aryl which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc.; R2 represents hydrogen, aryl which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc.; R3 represents hydrogen, etc.; Ar represents a divalent group derived from aromatic hydrocarbon, etc.; X represents a single bond, linear or branched alkylene having from 1 to 3 carbon atoms which may have a substituent, etc.; and G represents halogen, a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group which may have a substituent, a saturated or unsaturated 5- to 7-membered heterocyclic group which may have a substituent, etc., a salt thereof or a solvate thereof; and an agent for inhibiting aggregation and/or deposition of an amyloid protein or an amyloid-like protein, which comprises the compound, a salt thereof or a solvate thereof
    下式(I)所代表的化合物: 其中 R1 代表氢、可能具有取代基的芳基、可能具有取代基的饱和或不饱和 5 至 7 元杂环基团等;R2 代表氢、可能具有取代基的芳基、可能具有取代基的饱和或不饱和 5 至 7 元杂环基团等;R3 代表氢等。Ar 代表衍生自芳香烃的二价基团等;X 代表具有 1 至 3 个碳原子的单键、线性或支链亚烷基(可具有取代基)等;G 代表卤素、饱和或不饱和的 5 或 6 元环状烃基(可具有取代基)、饱和或不饱和的 5 至 7 元杂环基(可具有取代基)等、一种抑制淀粉样蛋白或类淀粉样蛋白聚集和/或沉积的制剂,其中包括该化合物、其盐或其溶液。
  • PROTEIN KINASE INHIBITOR
    申请人:KYOWA HAKKO KOGYO CO., LTD.
    公开号:EP1650194A1
    公开(公告)日:2006-04-26
    The present invention provides a protein kinase inhibitor (excluding c-Jun N-terminal kinase inhibitor) which comprises, as an active ingredient, an indazole derivative represented by Formula (I) (wherein R1 represents substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group) or a pharmaceutically acceptable salt thereof.
    本发明提供了一种蛋白激酶抑制剂(不包括 c-Jun N-末端激酶抑制剂),其活性成分包括由式(I)表示的吲唑衍生物 (其中 R1 代表取代或未取代的芳基或取代或未取代的杂环基团)或其药学上可接受的盐。
  • EP1612204
    申请人:——
    公开号:——
    公开(公告)日:——
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