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1-[4-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]phenyl]sulfonyl-3-butylurea | 1380783-56-1

中文名称
——
中文别名
——
英文名称
1-[4-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]phenyl]sulfonyl-3-butylurea
英文别名
——
1-[4-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]phenyl]sulfonyl-3-butylurea化学式
CAS
1380783-56-1
化学式
C19H20N4O8S2
mdl
——
分子量
496.522
InChiKey
YDQMWLIBRNKVLZ-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):
    2.8
  • 重原子数:
    33
  • 可旋转键数:
    9
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.21
  • 拓扑面积:
    187
  • 氢给体数:
    2
  • 氢受体数:
    9

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-(3-phenylsulfonylfuroxan-4-yloxy)benzenesulfonamide异氰酸正丁酯copper(l) chloride 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 24.0h, 以15%的产率得到1-[4-[[4-(Benzenesulfonyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]oxy]phenyl]sulfonyl-3-butylurea
    参考文献:
    名称:
    Synthesis and preliminary biological profile of new NO-donor tolbutamide analogues
    摘要:
    We describe a new class of NO-donor hypoglycemic products obtained by joining tolbutamide, a typical hypoglycemic sulfonylurea, with a NO-donor moiety through a hard link. As NO-donors we chose either furoxan (1,2,5-oxadiazole 2-oxide) derivatives or the classical nitrooxy function. A preliminary biological characterization of these compounds, including stimulation of insulin release from cultured rat pancreatic beta-cells and in vitro vasodilator and anti-aggregatory activities, is reported. (C) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2012.03.103
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文献信息

  • Synthesis and preliminary biological profile of new NO-donor tolbutamide analogues
    作者:Yasinalli Tamboli、Loretta Lazzarato、Elisabetta Marini、Stefano Guglielmo、Michela Novelli、Pascale Beffy、Pellegrino Masiello、Roberta Fruttero、Alberto Gasco
    DOI:10.1016/j.bmcl.2012.03.103
    日期:2012.6
    We describe a new class of NO-donor hypoglycemic products obtained by joining tolbutamide, a typical hypoglycemic sulfonylurea, with a NO-donor moiety through a hard link. As NO-donors we chose either furoxan (1,2,5-oxadiazole 2-oxide) derivatives or the classical nitrooxy function. A preliminary biological characterization of these compounds, including stimulation of insulin release from cultured rat pancreatic beta-cells and in vitro vasodilator and anti-aggregatory activities, is reported. (C) 2012 Elsevier Ltd. All rights reserved.
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