4-Chlor-5-brom-2-<4-chlor-benzylmercapto>-pyrimidin | 103854-52-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-Chlor-5-brom-2-<4-chlor-benzylmercapto>-pyrimidin
• 英文别名: 5-bromo-4-chloro-2-(4-chloro-benzylsulfanyl)-pyrimidine；4-chloro-5-bromo-2-[[(4-chloro-phenyl)methyl]thio]-pyrimidine；5-Bromo-4-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine
• CAS: 103854-52-0
• 化学式: C₁₁H₇BrCl₂N₂S
• 分子量: 350.066
• InChiKey: WBKNFXPEPWSRRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Pyrimidine-thioalkyl and alkylether compounds
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1247804A1

  公开（公告）日：2002-10-09

  The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula I and pyrimidine-thioalkyl and alkylethers of Formula IA, namely the compounds of Formula I where R4 is selected from the group consisting of -H or -NR15R16 where R15 is -H and R16 is -H, C1-C6 alkyl, -NH2 or R15 and R16 taken together with the -N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R6 is selected from the group consisting of -H, or halo (preferably -Cl); with the overall provisio that R4 and R6 are not both -H; The compounds of Formula IA are useful in the treatment of individuals who are HIV positive.

  该发明涉及Formula I的嘧啶硫代烷基和烷基醚化合物，以及Formula IA的嘧啶硫代烷基和烷基醚化合物，即Formula I中R4选自-H或-NR15R16的基团，其中R15为-H，R16为-H，C1-C6烷基，-NH2或R15和R16一起与-N形成1-吡咯啉基、1-吗啉基或1-哌啶基；以及R6选自-H或卤素（优选-Cl）的基团，总体规定是R4和R6不能同时为-H；Formula IA的化合物在治疗HIV阳性个体中是有用的。
• PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS
  申请人：THE UPJOHN COMPANY

  公开号：EP0728130A1

  公开（公告）日：1996-08-28
• US5981537A
  申请人：——

  公开号：US5981537A

  公开（公告）日：1999-11-09
• [EN] PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS<br/>[FR] COMPOSES A BASE DE PYRIMIDINE-THIOALKYLE ET D'ALKYLETHER
  申请人：THE UPJOHN COMPANY

  公开号：WO1995013267A1

  公开（公告）日：1995-05-18

  (EN) The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula (I) and pyrimidine-thioalkyl and alkylethers of Formula (IA), namely the compounds of Formula (I) where R4 is selected from the group consisting of -H or -NR15R16 where R15 is -H and R16 is -H, C1-C6 alkyl, -NH2 or R15 and R16 taken together with the -N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R6 is selected from the group consisting of -H, or halo (preferably -Cl); with the overall proviso that R4 and R6 are not both -H. The compounds of Formula (IA) are useful in the treatment of individuals who are HIV positive.(FR) L'invention concerne des composés à base de pyrimidine-thioalkyle et d'alkyléther de formule (I) ainsi qu'à base de pyrimidine-thioalkyle et d'alkyléther de formule (IA), c'est-à-dire ceux de la formule (I) où R4 est choisi dans le groupe consistant en -H ou -NR15R16 où R15 représente -H et R16 représente -H, C1-6 alkyle, -NH2 ou bien où R15 et R16 pris conjointement avec le -N forment 1-pyrrolidino, 1-morpholino ou 1-piperidino; et R6 est choisi dans le groupe consistant en -H ou halo (de préférence -Cl); à la condition générale que R4 et R6 ne représentent pas tous les deux -H. Les composés de la formule (IA) se révèlent utiles pour traiter des personnes séropositives au VIH.