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(Z)-4-(3-(2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)phenoxy)-3-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide | 1538580-72-1

中文名称
——
中文别名
——
英文名称
(Z)-4-(3-(2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)phenoxy)-3-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide
英文别名
[3-[[4-(benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]phenyl] 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetate
(Z)-4-(3-(2-(5-fluoro-2-methyl-1-(4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)phenoxy)-3-(phenylsulfonyl)-1,2,5-oxadiazole 2-oxide化学式
CAS
1538580-72-1
化学式
C34H25FN2O9S2
mdl
——
分子量
688.711
InChiKey
PBKRFQWCEQBDRY-RHANQZHGSA-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):
    5.5
  • 重原子数:
    48
  • 可旋转键数:
    10
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.09
  • 拓扑面积:
    172
  • 氢给体数:
    0
  • 氢受体数:
    11

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:
    参考文献:
    名称:
    Synthesis and biological evaluation of nitric oxide-donating analogues of sulindac for prostate cancer treatment
    摘要:
    A series of analogues of the non-steroidal anti-inflammatory drug (NSAID) sulindac 1 were synthesised tethered to nitric oxide (NO) donating functional groups. Sulindac shows antiproliterative effects against immortal PC3 cell lines. It was previously demonstrated that the effect can be enhanced when tethered to NO releasing groups such as nitrate esters, furoxans and sydnonimines. To explore this approach further, a total of fifty-six sulindac-NO analogues were prepared and they were evaluated as NO-releasing cytotoxic agents against prostate cancer (PCa) cell lines. Compounds 1k and 1n exhibited significant cytotoxic with IC50 values of 6.1 +/- 4.1 and 12.1 +/- 3.2 mu M, respectively, coupled with observed nitric oxide release. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2013.12.014
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文献信息

  • Synthesis and biological evaluation of nitric oxide-donating analogues of sulindac for prostate cancer treatment
    作者:Andrew Nortcliffe、Alexander G. Ekstrom、James R. Black、James A. Ross、Fouad K. Habib、Nigel P. Botting、David O’Hagan
    DOI:10.1016/j.bmc.2013.12.014
    日期:2014.1
    A series of analogues of the non-steroidal anti-inflammatory drug (NSAID) sulindac 1 were synthesised tethered to nitric oxide (NO) donating functional groups. Sulindac shows antiproliterative effects against immortal PC3 cell lines. It was previously demonstrated that the effect can be enhanced when tethered to NO releasing groups such as nitrate esters, furoxans and sydnonimines. To explore this approach further, a total of fifty-six sulindac-NO analogues were prepared and they were evaluated as NO-releasing cytotoxic agents against prostate cancer (PCa) cell lines. Compounds 1k and 1n exhibited significant cytotoxic with IC50 values of 6.1 +/- 4.1 and 12.1 +/- 3.2 mu M, respectively, coupled with observed nitric oxide release. (C) 2013 Elsevier Ltd. All rights reserved.
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