4-(3,5-Dichlorophenyl)-1-piperazinebutanenitrile | 1055120-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(3,5-Dichlorophenyl)-1-piperazinebutanenitrile
• 英文别名: 4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butanenitrile
• CAS: 1055120-91-6
• 化学式: C₁₄H₁₇Cl₂N₃
• 分子量: 298.2
• InChiKey: AXDSTBUTUXWXRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS<br/>[FR] 4-(PIPERAZINYL-1YLE SUBSTITUE EN 4)-BUTYLCARBOXAMIDES UTILISES EN TANT QUE LIGANDS SELECTIFS DU SOUS-TYPE DE LA DOPAMINE D3
  申请人：RICHTER GEDEON VEGYESZET

  公开号：WO2003028728A1

  公开（公告）日：2003-04-10

  The present invention relates to new D3 dopamine receptor subtype selective ligands of Formula (I), wherein R1, R2 and R3 independently represent substituents selected from hydrogen, halogen, C1-6alkyl, C1-6alkoxy, cyano, hydroxy, trifluoromethyl, C1-6alkylsulfonyloxy, trifluoromethanesulfonyloxy, optionally substituted C1-6alkanoyloxy, amino, aminoalkyl, carboxy, aminocarbonyl, N-hydroxycarbamimidoyl, carbamimidoyl, hydroxycarbamoyl, thiocarbamoyl, sulfamoyl, optionally substituted phenyl or naphthyl, optionally substituted mono or bicyclic heterocyclic group, two adjacent groups of R1, R2 and R3 may combine to form an optionally substituted fused mono or bicyclic heterocyclic group, with the exception of compounds wherein a) R1= R2 = R3 = H, b) R1 = R2= H and R3 = C1-6alkoxy in the position 2 or R3 is in the position 4 of the piperazinylphenyl moiety, c) R1 = H and R2 = R3 = C1-6alkoxy; Q represents an optionally substituted C1-6alkyl, C1-6alkenyl, phenyl or heteroaryl group.