2-[(2S)-1-acetylpyrrolidin-2-yl]-6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-methoxy-3-methylpyrimidin-4-one | 857663-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-[(2S)-1-acetylpyrrolidin-2-yl]-6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-methoxy-3-methylpyrimidin-4-one
• CAS: 857663-95-7
• 化学式: C₂₁H₂₂FN₅O₄
• 分子量: 427.435
• InChiKey: GVKFMTCHZPYGKM-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[(2S)-1-acetylpyrrolidin-2-yl]-6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-methoxy-3-methylpyrimidin-4-one 在 三溴化硼 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以30%的产率得到2-[(2S)-1-acetylpyrrolidin-2-yl]-6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl (2S)-2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]pyrrolidine-1-carboxylate 、 乙酸酐 在 三氟乙酸 、 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 20.5h， 以72%的产率得到2-[(2S)-1-acetylpyrrolidin-2-yl]-6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-methoxy-3-methylpyrimidin-4-one
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：

文献信息

• 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：——