tert-butyl N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5,6-dimethoxypyrimidin-2-yl]propan-2-yl]carbamate | 857665-30-6

• 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: tert-butyl N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5,6-dimethoxypyrimidin-2-yl]propan-2-yl]carbamate
• CAS: 857665-30-6
• 化学式: C₂₃H₂₈FN₅O₅
• 分子量: 473.504
• InChiKey: PRMKTEOWLBGWIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5,6-dimethoxypyrimidin-2-yl]propan-2-yl]carbamate 在 水 、 氢溴酸 、 溶剂黄146 、 sodium hydroxide 、 碳酸氢钠 作用下， 以 水 为溶剂， 反应 2.5h， 生成 2-[4-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5,6-dimethoxypyrimidin-2-yl]propan-2-amine
  参考文献：
  名称：

  EP1698628

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl N-[2-[4-[(E)-N'-hydroxycarbamimidoyl]-5,6-dimethoxypyrimidin-2-yl]propan-2-yl]carbamate 、 对氟苯乙酰氯 在 吡啶 作用下， 反应 3.25h， 以46%的产率得到tert-butyl N-[2-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-5,6-dimethoxypyrimidin-2-yl]propan-2-yl]carbamate
  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：——