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| 1240264-92-9

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
1240264-92-9
化学式
C14H27N5O2
mdl
——
分子量
297.401
InChiKey
KZPATYQRGQDDTB-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):
    2.67
  • 重原子数:
    21.0
  • 可旋转键数:
    13.0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.86
  • 拓扑面积:
    106.96
  • 氢给体数:
    2.0
  • 氢受体数:
    3.0

反应信息

  • 作为反应物:
    描述:
    、 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(3-methoxy-4-propargyloxyphenyl)hepta-1,4,6-trien-3-one 在 copper(II) sulfatesodium ascorbate 作用下, 以 四氢呋喃 为溶剂, 生成 N-butyl-N'-[6-[4-[[4-[3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]methyl]triazol-1-yl]hexyl]butanediamide
    参考文献:
    名称:
    “Clicked” Bivalent Ligands Containing Curcumin and Cholesterol As Multifunctional Aβ Oligomerization Inhibitors: Design, Synthesis, and Biological Characterization
    摘要:
    In our effort to develop multifunctional compounds that cotarget beta-amyloid oligomers (A beta Os), cell membrane/lipid rafts (CM/LR), and oxidative stress, a series of bivalent multifunctional A beta oligomerization inhibitors (BMAOIs) containing cholesterol and curcumin were designed, synthesized, and biologically characterized as potential treatments for Alzheimer's disease (AD). The in vitro assay results established that the length of spacer that links cholesterol and curcumin and the attaching position of the spacer on curcumin are important structural determinants for their biological activities. Among the BMAOIs tested, 14 with a 21-atom-spacer was identified to localize to the CM/LR of human neuroblastoma MC65 cells, to inhibit the formation of A beta Os in MC65 cells, to protect cells from A beta Os-induced cytotoxicity, and to retain antioxidant properties of curcumin. Furthermore, 14 was confirmed to have the potential to cross the blood-brain barrier (BBB) as demonstrated in a Caco-2 cell model. Collectively, these results strongly encourage further optimization of 14 as a new hit to develop more potent BMAOIs.
    DOI:
    10.1021/jm100601q
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文献信息

  • [EN] BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING Aß OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE<br/>[FR] LIGANDS MULTIFONCTIONNELS BIVALENTS CIBLANT DES OLIGOMÈRES A? COMME TRAITEMENT DE LA MALADIE D'ALZHEIMER
    申请人:UNIV VIRGINIA COMMONWEALTH
    公开号:WO2012012257A2
    公开(公告)日:2012-01-26
    Bivalent multifunctional Αβ oligomerization inhibitors (BMAOIs) that target multiple risk factors involved in Alzheimer's disease are provided. The BMAOIs are useful for the treatment and/or prevention of Alzheimer's disease, as well as for diagnostic imaging of Αβ plaques in brain tissue. The BMAOIs comprise i) an Αβ oligomer (ApO)-inhibitor moiety which may have antioxidant activity (e.g. curcumin, curcumin derivatives, curcumin hybrids, resveratrol, etc.); ii) a cell membrane/lipid raft (CM/LR) anchoring moiety (e.g. cholesterol, cholesterylamine, a steroid, etc.); and iii) a spacer or linker moiety that stably links i) and ii) together.
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