摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

1-(2,4-dihydroxy-6-ethylphenyl)ethanone | 1244759-83-8

中文名称
——
中文别名
——
英文名称
1-(2,4-dihydroxy-6-ethylphenyl)ethanone
英文别名
1-(2-Ethyl-4,6-dihydroxyphenyl)ethanone;1-(2-ethyl-4,6-dihydroxyphenyl)ethanone
1-(2,4-dihydroxy-6-ethylphenyl)ethanone化学式
CAS
1244759-83-8
化学式
C10H12O3
mdl
——
分子量
180.203
InChiKey
NNATUPKEQXXGQU-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):
    2.2
  • 重原子数:
    13
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    57.5
  • 氢给体数:
    2
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    4,4-二甲氧基-2-甲基-2-丁醇1-(2,4-dihydroxy-6-ethylphenyl)ethanone吡啶 作用下, 反应 4.0h, 以72.4%的产率得到6-acetyl-2,2-dimethyl-5-hydroxy-7-ethyl-2H-chromone
    参考文献:
    名称:
    Anti-AIDS agents 79. Design, synthesis, molecular modeling and structure–activity relationships of novel dicamphanoyl-2′,2′-dimethyldihydropyranochromone (DCP) analogs as potent anti-HIV agents
    摘要:
    In a continued study, 23 3'R,4'R-di-O-(-)-camphanoyl-2',2'-dimethyldihydropyrano[2,3-f]chromone (DCP) derivatives (5-27) were synthesized, and screened for anti-HIV activity against both a non-drug-resistant NL4-3 strain and multiple reverse transcriptase (RT) inhibitor-resistant (RTMDR-1) strain, using 2-EDCP (4) and 2-MDCP (35) as controls. New DCP analogs 5, 9, 14, and 22 exhibited potent anti-HIV activity against HIV(NL4-3) with EC(50) and therapeutic index (TI) values ranging from 0.036 mu M to 0.14 mu M and from 110 to 420, respectively. Compounds 5 and 9 also exhibited good activity against RTMDR-1 (EC(50) 0.049 and 0.054 mu M; TI 310 and 200, respectively), and were twofold more potent than the leads 4 and 35 (EC(50) 0.11 and 0.19 mu M; TI 60 and 58, respectively). Evaluation of water solubility showed that 5 and 22 were 5-10 times more water soluble than 4. Quantitative structure-activity relationship (QSAR) modeling results were first performed on this compound type, and the models should aid in design of future anti-HIV DCP analogs and potential clinical drug candidates. (c) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2010.07.065
  • 作为产物:
    描述:
    5-乙基间苯二酚乙腈盐酸 、 zinc(II) chloride 、 作用下, 以 乙醚 为溶剂, 反应 0.5h, 以40%的产率得到1-(2,4-dihydroxy-6-ethylphenyl)ethanone
    参考文献:
    名称:
    Anti-AIDS agents 79. Design, synthesis, molecular modeling and structure–activity relationships of novel dicamphanoyl-2′,2′-dimethyldihydropyranochromone (DCP) analogs as potent anti-HIV agents
    摘要:
    In a continued study, 23 3'R,4'R-di-O-(-)-camphanoyl-2',2'-dimethyldihydropyrano[2,3-f]chromone (DCP) derivatives (5-27) were synthesized, and screened for anti-HIV activity against both a non-drug-resistant NL4-3 strain and multiple reverse transcriptase (RT) inhibitor-resistant (RTMDR-1) strain, using 2-EDCP (4) and 2-MDCP (35) as controls. New DCP analogs 5, 9, 14, and 22 exhibited potent anti-HIV activity against HIV(NL4-3) with EC(50) and therapeutic index (TI) values ranging from 0.036 mu M to 0.14 mu M and from 110 to 420, respectively. Compounds 5 and 9 also exhibited good activity against RTMDR-1 (EC(50) 0.049 and 0.054 mu M; TI 310 and 200, respectively), and were twofold more potent than the leads 4 and 35 (EC(50) 0.11 and 0.19 mu M; TI 60 and 58, respectively). Evaluation of water solubility showed that 5 and 22 were 5-10 times more water soluble than 4. Quantitative structure-activity relationship (QSAR) modeling results were first performed on this compound type, and the models should aid in design of future anti-HIV DCP analogs and potential clinical drug candidates. (c) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2010.07.065
点击查看最新优质反应信息

文献信息

  • Anti-AIDS agents 83. Efficient microwave-assisted one-pot preparation of angular 2,2-dimethyl-2H-chromone containing compounds
    作者:Ting Zhou、Qian Shi、Kuo Hsing Lee
    DOI:10.1016/j.tetlet.2010.06.058
    日期:2010.8
    A novel and efficient microwave-assisted one-pot reaction was developed to synthesize angular 2,2-dimethyl-2H-chromone-containing compounds, which is the first and key step in the synthesis of potent DCK and DCP anti-HIV agents The newly developed microwave synthesis conditions dramatically shortened the reaction time from 2 clays to 4 h with improved yields (c) 2010 Elsevier Ltd All rights reserved
  • SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF
    申请人:President and Fellows of Harvard College
    公开号:EP1753713B1
    公开(公告)日:2016-07-27
  • ANTIBIOTIC MACROCYCLE COMPOUNDS AND METHODS OF MANUFACTURE AND USE THEREOF
    申请人:Merck Sharp & Dohme Corp.
    公开号:EP2222309B1
    公开(公告)日:2015-10-28
  • US9365493B2
    申请人:——
    公开号:US9365493B2
    公开(公告)日:2016-06-14
  • Anti-AIDS agents 79. Design, synthesis, molecular modeling and structure–activity relationships of novel dicamphanoyl-2′,2′-dimethyldihydropyranochromone (DCP) analogs as potent anti-HIV agents
    作者:Ting Zhou、Qian Shi、Chin-Ho Chen、Hao Zhu、Li Huang、Phong Ho、Kuo-Hsiung Lee
    DOI:10.1016/j.bmc.2010.07.065
    日期:2010.9
    In a continued study, 23 3'R,4'R-di-O-(-)-camphanoyl-2',2'-dimethyldihydropyrano[2,3-f]chromone (DCP) derivatives (5-27) were synthesized, and screened for anti-HIV activity against both a non-drug-resistant NL4-3 strain and multiple reverse transcriptase (RT) inhibitor-resistant (RTMDR-1) strain, using 2-EDCP (4) and 2-MDCP (35) as controls. New DCP analogs 5, 9, 14, and 22 exhibited potent anti-HIV activity against HIV(NL4-3) with EC(50) and therapeutic index (TI) values ranging from 0.036 mu M to 0.14 mu M and from 110 to 420, respectively. Compounds 5 and 9 also exhibited good activity against RTMDR-1 (EC(50) 0.049 and 0.054 mu M; TI 310 and 200, respectively), and were twofold more potent than the leads 4 and 35 (EC(50) 0.11 and 0.19 mu M; TI 60 and 58, respectively). Evaluation of water solubility showed that 5 and 22 were 5-10 times more water soluble than 4. Quantitative structure-activity relationship (QSAR) modeling results were first performed on this compound type, and the models should aid in design of future anti-HIV DCP analogs and potential clinical drug candidates. (c) 2010 Elsevier Ltd. All rights reserved.
查看更多