2-(2-aminopropan-2-yl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-1H-pyrimidin-6-one | 857664-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2-aminopropan-2-yl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-1H-pyrimidin-6-one
• CAS: 857664-00-7
• 化学式: C₁₇H₁₇FN₄O₂S
• 分子量: 360.412
• InChiKey: BCHXWGVPKLPWMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 2-(2-aminopropan-2-yl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-1H-pyrimidin-6-one 在 溶剂黄146 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 2-[5-[(4-Fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-hydroxy-8,8-dimethyl-6,7-dihydroimidazo[1,5-a]pyrimidin-4-one
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：
• 作为产物：
  描述：

  benzyl N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]carbamate 在 三甲基氯硅烷 、 sodium iodide 、 sodium hydroxide 、 sodium nitrite 作用下， 以 乙腈 、 水 为溶剂， 反应 26.0h， 以58%的产率得到2-(2-aminopropan-2-yl)-4-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-hydroxy-1H-pyrimidin-6-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