Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate | 908075-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
• CAS: 908075-21-8
• 化学式: C₂₆H₃₀N₂O₅
• 分子量: 450.535
• InChiKey: QZAYDXZAQOGXNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-formyl-2-methoxycarbonylmethoxybenzoic acid methyl ester 、 Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate 、 正己胺 、 异腈基正丁烷 生成 Benzyl 3-[6-[[2-(butylamino)-1-[3-methoxycarbonyl-4-(2-methoxy-2-oxoethoxy)phenyl]-2-oxoethyl]-hexylamino]-6-oxohexyl]-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Pyrimidinone-peptoid hybrid molecules with distinct effects on molecular chaperone function and cell proliferation

  摘要：

  The Hsp70 molecular chaperones are ATPases that play critical roles in the pathogenesis of many human diseases, including breast cancer. Hsp70 ATP hydrolysis is relatively weak but is stimulated by J domain-containing proteins. We identified pyrimidinone-peptoid hybrid molecules that inhibit cell proliferation with greater potency than previously described Hsp70 modulators. In many cases, anti-proliferative activity correlated with inhibition of J domain stimulation of Hsp70. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.12.014
• 作为产物：
  描述：

  methyl 6-ureidohexanoate 、 乙酰丙酮苄酯 、 苯甲醛 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 生成 Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Pyrimidinone-peptoid hybrid molecules with distinct effects on molecular chaperone function and cell proliferation

  摘要：

  The Hsp70 molecular chaperones are ATPases that play critical roles in the pathogenesis of many human diseases, including breast cancer. Hsp70 ATP hydrolysis is relatively weak but is stimulated by J domain-containing proteins. We identified pyrimidinone-peptoid hybrid molecules that inhibit cell proliferation with greater potency than previously described Hsp70 modulators. In many cases, anti-proliferative activity correlated with inhibition of J domain stimulation of Hsp70. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.12.014

文献信息

• Pyrimidinone-peptoid hybrid molecules with distinct effects on molecular chaperone function and cell proliferation
  作者：Christine M. Wright、Raj J. Chovatiya、Nora E. Jameson、David M. Turner、Guangyu Zhu、Stefan Werner、Donna M. Huryn、James M. Pipas、Billy W. Day、Peter Wipf

  DOI：10.1016/j.bmc.2007.12.014

  日期：2008.3.15

  The Hsp70 molecular chaperones are ATPases that play critical roles in the pathogenesis of many human diseases, including breast cancer. Hsp70 ATP hydrolysis is relatively weak but is stimulated by J domain-containing proteins. We identified pyrimidinone-peptoid hybrid molecules that inhibit cell proliferation with greater potency than previously described Hsp70 modulators. In many cases, anti-proliferative activity correlated with inhibition of J domain stimulation of Hsp70. (C) 2007 Elsevier Ltd. All rights reserved.