4-(2-bromo-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(2-bromo-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
• 英文别名: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-piperazin-1-ylpyrimidine-5-carboxamide
• 化学式: C₂₅H₂₂BrF₆N₅O
• 分子量: 602.377
• InChiKey: LZDIQCIFBXYNCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• 4-PHENYL-PYRIMIDINE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1187815A1

  公开（公告）日：2002-03-20
• [EN] 4-PHENYL-PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES DE 4-PHENYLE-PYRIMIDINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2000073279A1

  公开（公告）日：2000-12-07

  The invention relates to compounds of formula (I) wherein R1 is hydrogen or halogen; R2 is hydrogen, halogen, lower alkyl or lower alkoxy; R?1 and R2¿ may be together with the two carbon atoms -CH=CH-CH=CH-; R3 is halogen, trifluoromethyl, lower alkyl or lower alkoxy; R4/R4' are independently from each other hydrogen or lower alkyl; R5 is lower alkyl, lower alkoxy, amino, phenyl, hydroxy-lower alkyl, cyano-lower alkyl, carbamoyl-lower alkyl, pyridyl, pyrimidyl, -(CH¿2?)n-piperazinyl, which is optionally substituted by one or two lower alkyl groups or by hydroxy-lower alkyl, -(CH2)n-morpholinyl, -(CH2)n-piperidinyl, -(CH2)n+1-imidazolyl, lower alkyl-sulfanyl, lower alkyl-sulfonyl, benzylamino, -NH-(CH2)n+1N(R?4')¿2, -(CH2)n+1N(R4')2, -O-(CH2)n+1-morpholinyl, -O-(CH2)n+1-piperidinyl or -O-(CH2)n+1N(R4')2, wherein R4' is hydrogen or lower alkyl; and n is 0 - 2; X is -C(O)N(R4')- or -N(R4')C(O)-; and to pharmaceutically acceptable acid addition salts thereof. It has been shown that the compounds have a good affinity to the NK-1 receptor and may therefore be used for the treatment of diseases related to this receptor.