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(E)-1-(4-carboxyphenyl)-3-(4-methylphenyl)-2-propen-1-one

中文名称
——
中文别名
——
英文名称
(E)-1-(4-carboxyphenyl)-3-(4-methylphenyl)-2-propen-1-one
英文别名
4-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzoic acid
(E)-1-(4-carboxyphenyl)-3-(4-methylphenyl)-2-propen-1-one化学式
CAS
——
化学式
C17H14O3
mdl
——
分子量
266.296
InChiKey
NRQIKPMRZIPWHB-IZZDOVSWSA-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):
    3.6
  • 重原子数:
    20
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.06
  • 拓扑面积:
    54.4
  • 氢给体数:
    1
  • 氢受体数:
    3

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

  • 作为产物:
    描述:
    4-乙酰基苯甲酸对甲基苯甲醛sodium hydroxide 作用下, 以 乙醇 为溶剂, 反应 18.0h, 以33%的产率得到(E)-1-(4-carboxyphenyl)-3-(4-methylphenyl)-2-propen-1-one
    参考文献:
    名称:
    Antibacterial chalcones––bioisosteric replacement of the 4′-hydroxy group
    摘要:
    Hydroxy chalcones, for example, Licochalcone A, has for several years been known to be antibacterial. The low aqueous solubility and the medium antibacterial potency have limited the usefulness of the compounds. We describe the bioisosteric replacement of the essential 4'-hydroxy group in the hydroxy chalcones with bioisosters of varied degrees of acidity resulting in both more potent and more soluble compounds. The more acidic 4'-hydroxy analogues (e.g., 3'-fluoro- or 3',5'-difluoro-) gave almost inactive compounds whereas exchanging the hydroxy group with a carboxy group resulted in a potent compound with a high aqueous solubility. Further optimisation and SAR-analysis resulted in soluble and potent carboxy chalcones [e.g., 3,5-dibromo- and 3,5-di(trifluoromethyl)-]. (C) 2004 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2004.03.071
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文献信息

  • PYRIDINE DERIVATIVES
    申请人:TAISHO PHARMACEUTICAL CO. LTD
    公开号:EP0795545A1
    公开(公告)日:1997-09-17
    A pyridine derivative represented by the following formula: , where R1 is a methyl group or a functional group represented by any one of the following formulae:         ―CONHCH2CH2N(CH3)2         ―CONHCH2CH2CH2N(CH3)2         ―COOCH2CH2N(CH3)2         ―COOCH2CH2N(CH2CH3)2         ―NHCOCH2N(CH3)2         ―NHCOCH2N(CH2CH3)2 and R2 is a hydrogen atom, an amino group or a functional group represented by any one of the following formulae:         ―CONHCH2CH2N(CH3)2         ―COOCH2CH2N(CH3)2         ―NHCOCH2N(CH3)2         ―NHCOCH2N(CH2CH3)2 or a salt thereof directly or indirectly acts on neuronal cells in vivo and is expected to show an effect on amelioration and curing of nerve disorders due to neuronal degeneration, with application as a drug for ameliorating and curing, for example, traumatic symptoms and maladies, those induced by drugs such as alcohol, antineoplastic agents, etc., inflammatory ones, metabolic ones as observed in diabetes, etc., and furthermore those due to idiopathic degeneration of peripheral nerves, and also with application as drugs for ameliorating and curing symptoms and maladies due to degeneration of central nerves, for example, Alzheimer's disease and cerebrovascular ischemia, Down syndrome, Parkinson's disease, Huntington chorea, diseases secondary to cerebral ischemia, cerebral infarction, intracerebral bleeding, head injuries, etc., amnesia, spinal neuropathy, etc.
    下式所代表的吡啶衍生物: 其中 R1 是甲基或下式中任何一种所代表的官能团: -conhch2ch2n(ch3)2 -conhch2ch2ch2n(ch3)2 -cooch2ch2n(ch3)2 -cooch2ch2n(ch2ch3)2 -NHCOCH2N(CH3)2 -NHCOCH2N(CH2CH3)2 而 R2 是氢原子、氨基或由下式中任一式代表的官能团: -conhch2ch2n(ch3)2 -cooch2ch2n(ch3)2 -NHCOCH2N(CH3)2 -NHCOCH2N(CH2CH3)2 或其盐在体内直接或间接作用于神经元细胞,并有望显示出改善和治疗因神经元变性引起的神经紊乱的效果,可用作改善和治疗创伤性症状和弊病、酒精等药物引起的症状和弊病、抗肿瘤药物等引起的症状和弊病、炎症性症状和弊病、糖尿病等引起的代谢性症状和弊病的药物、此外,还可用于改善和治疗中枢神经退化引起的症状和疾病,如阿尔茨海默病和脑血管缺血、唐氏综合症、帕金森病、亨廷顿舞蹈症、继发于脑缺血、脑梗塞、脑出血、头部损伤等的疾病、健忘症、脊髓神经病等。
  • LIQUID CRYSTAL ALIGNING AGENT, METHOD OF PRODUCING A LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE
    申请人:Akiike Toshiyuki
    公开号:US20110068301A1
    公开(公告)日:2011-03-24
    The present invention relates to a liquid crystal aligning agent which contains a reaction product of at least one selected from the group consisting of a polysiloxane having a structure represented by the following formula (S-1), a hydrolysate thereof and a condensate of the hydrolysate and a compound represented by the following formula (1): (Y I in the formula (S-1) is a hydroxyl group, an alkoxyl group having 1 to 10 carbon atoms, an alkyl group having 1 to 6 carbon atoms or an aryl group having 6 to 10 carbon atoms, R in the formula (1) is a group having an alkyl group with 4 to 20 carbon atoms, a fluoroalkyl group with 1 to 20 carbon atoms or a cyclohexyl group, or a group having 17 to 51 carbon atoms and a steroid skeleton, and X I in the formula (S-1) and Z in the formula (1) are reacted with each other to form a bond group for bonding the silicon atom in the formula (S-1) to R in the formula (1)).
  • LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE
    申请人:Akiike Toshiyuki
    公开号:US20110105700A1
    公开(公告)日:2011-05-05
    The present invention relates to a liquid crystal aligning agent containing a radiation sensitive polyorganosiloxane which is obtained by reacting at least one selected from the group consisting of a polyorganosiloxane having a recurring unit represented by the following formula (1), a hydrolysate thereof and a condensate of the hydrolysis with a cinnamic acid derivative having at least one group selected from the group consisting of a carboxyl group, a hydroxyl group, —SH, —NCO, —NHR (R is a hydrogen atom or an alkyl group having 1 to 6 carbon atoms), —CH═CH 2 and —SO 2 Cl: (in the formula (1), X 1 is a monovalent organic group having an epoxy group, and Y 1 is a hydroxyl group, an alkoxyl group having 1 to 10 carbon atoms, an alkyl group having 1 to 20 carbon atoms or an aryl group having 6 to 20 carbon atoms).
  • LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT
    申请人:Chi Mei Corporation
    公开号:US20170022419A1
    公开(公告)日:2017-01-26
    A liquid crystal alignment agent capable of forming a liquid crystal alignment film having good pre-tilt angle light stability, the liquid crystal alignment film, and a liquid crystal display element having the liquid crystal alignment film are provided. The liquid crystal alignment agent includes a polymer (A), a photosensitive polysiloxane (B), and a solvent (C). The polymer (A) is obtained by reacting a mixture, wherein the mixture includes a tetracarboxylic dianhydride component (a1) and a diamine component (a2). The diamine component (a2) includes a diamine compound (a2-1) represented by formula (1). The photosensitive polysiloxane (B) is obtained by reacting a silane compound (b1-1) containing an epoxy group and a cinnamic acid derivative (b2).
  • US5922743A
    申请人:——
    公开号:US5922743A
    公开(公告)日:1999-07-13
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