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(1'R,3R,3aR,6'R,7aR)-5'-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1'-methylhexahydro-2H-3',5'-diazaspiro[benzofuran-3,7'-bicyclo[4.2.0]octane]-2,2',4'-trione | 1260093-46-6

中文名称
——
中文别名
——
英文名称
(1'R,3R,3aR,6'R,7aR)-5'-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1'-methylhexahydro-2H-3',5'-diazaspiro[benzofuran-3,7'-bicyclo[4.2.0]octane]-2,2',4'-trione
英文别名
——
(1'R,3R,3aR,6'R,7aR)-5'-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1'-methylhexahydro-2H-3',5'-diazaspiro[benzofuran-3,7'-bicyclo[4.2.0]octane]-2,2',4'-trione化学式
CAS
1260093-46-6
化学式
C31H27N2O2P
mdl
——
分子量
490.541
InChiKey
UPFIPUVZGZOWNQ-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):
    6.53
  • 重原子数:
    36.0
  • 可旋转键数:
    6.0
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.1
  • 拓扑面积:
    51.55
  • 氢给体数:
    0.0
  • 氢受体数:
    4.0

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

  • 作为反应物:
    参考文献:
    名称:
    Synthesis and in vitro antiproliferative evaluation of pyrimido[5,4-c]quinoline-4-(3H)-one derivatives
    摘要:
    A series of pyrimido[5,4-c]quinoline-4-(3H)-one derivatives variously substituted at positions 2 and 3 were synthesized and evaluated for their in vitro antiproliferative activities against a panel of six human cancer cell lines. Biological evaluation revealed that the vast majority of derivatives exhibited moderate tumor growth inhibitory activities. In particular, compound 7e showed effective anti-tumor activity with broad-spectrum toward numerous cell lines and the most active member in this study. This derivative displaying significant activity against KB (IC50: 4.9 mu M), CNE2 (IC50: 13.8 mu M), MGC-803 (IC50: 4.8 mu M), GLC-82 (IC50: 7.88 mu M), MDA-MB-453 (IC50: 18.2 1.1 mu M) and MCF-7 (IC50: 10.1 mu M) cell lines could be considered as the most promising and useful template for future development to obtain more potent anti-tumor agent(s). 2011 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2011.10.044
  • 作为产物:
    参考文献:
    名称:
    Synthesis and in vitro antiproliferative evaluation of pyrimido[5,4-c]quinoline-4-(3H)-one derivatives
    摘要:
    A series of pyrimido[5,4-c]quinoline-4-(3H)-one derivatives variously substituted at positions 2 and 3 were synthesized and evaluated for their in vitro antiproliferative activities against a panel of six human cancer cell lines. Biological evaluation revealed that the vast majority of derivatives exhibited moderate tumor growth inhibitory activities. In particular, compound 7e showed effective anti-tumor activity with broad-spectrum toward numerous cell lines and the most active member in this study. This derivative displaying significant activity against KB (IC50: 4.9 mu M), CNE2 (IC50: 13.8 mu M), MGC-803 (IC50: 4.8 mu M), GLC-82 (IC50: 7.88 mu M), MDA-MB-453 (IC50: 18.2 1.1 mu M) and MCF-7 (IC50: 10.1 mu M) cell lines could be considered as the most promising and useful template for future development to obtain more potent anti-tumor agent(s). 2011 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2011.10.044
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文献信息

  • Synthesis and structure elucidation of five new pyrimido[5,4-c]quinoline-4(3H)-one derivatives using 1D and 2D NMR spectroscopy
    作者:Yong Ai、Guangzhong Yang、Jianchao Liu、Yu Chen、Lu Liu、Xinxiang Lei
    DOI:10.1002/mrc.2689
    日期:2010.12
    Five new 2‐(amino/aroxy)‐5‐methylpyrimido[5,4‐c]quinolin‐4(3H)‐one derivatives have been designed and synthesized via an aza‐Wittig reaction, and the structure elucidation was accomplished using extensive 1D (1H, 13C) and 2D NMR spectroscopic studies (COSY, HSQC and HMBC experiments). Copyright © 2010 John Wiley & Sons, Ltd.
    通过 aza-Wittig 反应设计并合成了五种新的 2-(基/芳氧基)-5-甲基嘧啶并[5,4-c]喹啉-4(3H)-one衍生物,并使用广泛的1D完成了结构解析(1H, 13C) 和 2D NMR 光谱研究(COSY、HSQC 和 HMBC 实验)。版权所有 © 2010 John Wiley & Sons, Ltd.
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