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N-[2-[2-(hexadecanoylamino)ethyldisulfanyl]ethyl]hexadecanamide | 115029-28-2

中文名称
——
中文别名
——
英文名称
N-[2-[2-(hexadecanoylamino)ethyldisulfanyl]ethyl]hexadecanamide
英文别名
——
N-[2-[2-(hexadecanoylamino)ethyldisulfanyl]ethyl]hexadecanamide化学式
CAS
115029-28-2
化学式
C36H72N2O2S2
mdl
——
分子量
629.112
InChiKey
LWWIQTSBPSQYJO-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):
    14.2
  • 重原子数:
    42
  • 可旋转键数:
    35
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.94
  • 拓扑面积:
    109
  • 氢给体数:
    2
  • 氢受体数:
    4

反应信息

  • 作为产物:
    描述:
    cystamine dihydrochioride棕榈酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑N,N-二异丙基乙胺 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 2.0h, 生成 N-[2-[2-(hexadecanoylamino)ethyldisulfanyl]ethyl]hexadecanamide
    参考文献:
    名称:
    A potential new prodrug for the treatment of cystinosis: Design, synthesis and in-vitro evaluation
    摘要:
    Nephropathic cystinosis is a rare autosomal recessive disease characterised by raised lysosomal levels of cystine in the cells of most organs. The disorder is treated by regular administration of the aminothiol, cysteamine, an odiferous and unpleasant tasting compound that along with its metabolites is excreted in breath and sweat, leading to poor patient compliance. In an attempt to improve patient compliance a series of novel prodrugs has been designed and evaluated as a potential new treatment for nephropathic cystinosis. The first of the prodrugs tested, 3a, was found to decrease the levels of intracellular cystine in cystinotic fibroblasts. This is the first report of a potential new therapeutic treatment for nephropathic cystinosis since the advent of cysteamine bitartrate. (C) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2008.01.039
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文献信息

  • A potential new prodrug for the treatment of cystinosis: Design, synthesis and in-vitro evaluation
    作者:Bridgeen McCaughan、Graeme Kay、Rachel M. Knott、Donald Cairns
    DOI:10.1016/j.bmcl.2008.01.039
    日期:2008.3
    Nephropathic cystinosis is a rare autosomal recessive disease characterised by raised lysosomal levels of cystine in the cells of most organs. The disorder is treated by regular administration of the aminothiol, cysteamine, an odiferous and unpleasant tasting compound that along with its metabolites is excreted in breath and sweat, leading to poor patient compliance. In an attempt to improve patient compliance a series of novel prodrugs has been designed and evaluated as a potential new treatment for nephropathic cystinosis. The first of the prodrugs tested, 3a, was found to decrease the levels of intracellular cystine in cystinotic fibroblasts. This is the first report of a potential new therapeutic treatment for nephropathic cystinosis since the advent of cysteamine bitartrate. (C) 2008 Elsevier Ltd. All rights reserved.
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