1,3-dimethyl-5-[[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione | 1621963-20-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-dimethyl-5-[[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
• CAS: 1621963-20-9
• 化学式: C₃₃H₂₅N₃O₃S₂
• 分子量: 575.712
• InChiKey: MYEDONNDARSJDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(5-bromothiophen-2-yl)-N,N-diphenylaniline 在 potassium phosphate 、 tris-(dibenzylideneacetone)dipalladium(0) 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 1,3-dimethyl-5-[[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
  参考文献：
  名称：

  Development of dual targeting inhibitors against aggregations of amyloid-β and tau protein

  摘要：

  Aggregations of both amyloid-beta (A beta) and hyper-phosphorylated tau proteins are recognized as key pathological manifestations of Alzheimer's disease (AD). Agents that inhibit both those forms of aggregation show promise as drug candidates. Seventeen oligo heteroaromatic compounds were rapidly synthesized via a one-pot, 3- or 4-component coupling procedure. Evaluations showed that compounds E16 and E18 were the most potent inhibitors of A beta and tau aggregations (E16: IC(50)s = 0.38, 0.29 mu M against A beta, tau, respectively, E18: IC(50)s = 0.55, 0.30 mu M against A beta, tau, respectively). (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.07.095

文献信息

• Development of dual targeting inhibitors against aggregations of amyloid-β and tau protein
  作者：Shinichiro Fuse、Keisuke Matsumura、Yuki Fujita、Hachiro Sugimoto、Takashi Takahashi

  DOI：10.1016/j.ejmech.2014.07.095

  日期：2014.10

  Aggregations of both amyloid-beta (A beta) and hyper-phosphorylated tau proteins are recognized as key pathological manifestations of Alzheimer's disease (AD). Agents that inhibit both those forms of aggregation show promise as drug candidates. Seventeen oligo heteroaromatic compounds were rapidly synthesized via a one-pot, 3- or 4-component coupling procedure. Evaluations showed that compounds E16 and E18 were the most potent inhibitors of A beta and tau aggregations (E16: IC(50)s = 0.38, 0.29 mu M against A beta, tau, respectively, E18: IC(50)s = 0.55, 0.30 mu M against A beta, tau, respectively). (C) 2014 Elsevier Masson SAS. All rights reserved.