methyl 5-benzoyloxy-2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate | 857664-79-0

• 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: methyl 5-benzoyloxy-2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
• CAS: 857664-79-0
• 化学式: C₂₀H₁₅BrN₂O₅
• 分子量: 443.253
• InChiKey: KNXNAVAFSXMOOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  94.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 5-benzoyloxy-2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate 、 碘甲烷 在 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以76%的产率得到Methyl 5-benzoyloxy-2-[(4-bromophenyl)methyl]-1-methyl-6-oxopyrimidine-4-carboxylate
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 2-[(4-bromophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate 、 苯甲酸酐 在 吡啶 作用下， 反应 15.0h， 生成 methyl 5-benzoyloxy-2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：

文献信息

• NOVEL TARGET PROTEIN OF ANTICANCER AGENT AND NOVEL ANTICANCER AGENT (SPNAL) CORRESPONDING THERETO
  申请人：Reverse Proteomics Research Institute Co., Ltd

  公开号：EP1690852A1

  公开（公告）日：2006-08-16

  The present invention provides a pharmaceutical composition containing, as an active ingredient, a compound that specifically binds to KSRP or a functional fragment thereof, and a screening method for the compound. KSRP is a novel target protein for anticancer agents; a compound capable of regulating the expression and activity of such a protein and a pharmaceutical composition containing it are highly useful for proliferative diseases, particularly as anticancer agents. By providing the novel target protein, the mechanism behind the anticancer effect that has conventionally been unexplainable can be elucidated.

  本发明提供了一种药物组合物，其包含一种特异性结合于KSRP或其功能性片段的化合物作为活性成分，并提供了一种筛选该化合物的方法。KSRP是一种新型的抗癌药物靶蛋白；能够调节该蛋白的表达和活性的化合物以及含有它的药物组合物在增生性疾病中特别是作为抗癌药物非常有用。通过提供这种新型的靶蛋白，可以阐明传统上难以解释的抗癌效应的机制。
• Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase
  申请人：Mikamiyama Hidenori

  公开号：US20070149556A1

  公开（公告）日：2007-06-28

  Compounds of Formula (1), pharmaceuticals containing the same, especially anti-HIV agents having anti viral activity, especially inhibitory activity against HIV integrase, wherein X represents either one of the following groups: (wherein, C ring is nitrogen-containing aromatic heterocyclic ring in which at least one atom in atoms neighboring the atom bound to the pyrimidine ring is unsubstituted nitrogen atom; R 10 is hydrogen or lower alkyl; D ring is aryl or heteroaryl) Z 1 and Z 3 each is independently a single bond, O, S, S (═O) or SO 2 ; Z 2 is a single bond, lower alkylene or lower alkenylene; Ar is optionally substituted aryl or optionally substituted heteroaryl; R 1 is lower alkyl, substituted lower alkyl or the like; R 2 is a hydrogen atom or optionally substituted lower alkyl; or R 1 and R 2 may form, together with an adjacent atom, an optionally substituted heterocyclic ring, a pharmaceutically acceptable salt or a solvate thereof.
• Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase
  申请人：Mikamiyama Hidenori

  公开号：US20100204237A1

  公开（公告）日：2010-08-12

  Compounds of Formula (1), pharmaceuticals containing the same, especially anti-HIV agents having anti viral activity, especially inhibitory activity against HIV integrase, wherein X represents either one of the following groups: (wherein, C ring is nitrogen-containing aromatic heterocyclic ring in which at least one atom in atoms neighboring the atom bound to the pyrimidine ring is unsubstituted nitrogen atom; R 10 is hydrogen or lower alkyl; D ring is aryl or heteroaryl) Z 1 and Z 3 each is independently a single bond, O, S, S(═O) or SO 2 ; Z 2 is a single bond, lower alkylene or lower alkenylene; Ar is optionally substituted aryl or optionally substituted heteroaryl; R 1 is lower alkyl, substituted lower alkyl or the like; R 2 is a hydrogen atom or optionally substituted lower alkyl; or R 1 and R 2 may form, together with an adjacent atom, an optionally substituted heterocyclic ring, a pharmaceutically acceptable salt or a solvate thereof.
• US7745453B2
  申请人：——

  公开号：US7745453B2

  公开（公告）日：2010-06-29
• EP1698628
  申请人：——

  公开号：——

  公开（公告）日：——