2-{4-[4-(2-tert-butyl-6-trifluoromethyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-2H-[1,2,4]triazine-3,5-dione | 1147785-25-8

• 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: 2-{4-[4-(2-tert-butyl-6-trifluoromethyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-2H-[1,2,4]triazine-3,5-dione
• 英文别名: 2-[4-[4-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
• CAS: 1147785-25-8
• 化学式: C₂₀H₂₈F₃N₇O₂
• 分子量: 455.483
• InChiKey: NVNXXZKANJPBDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  94
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-叔丁基-4-(1-哌嗪)-6-三氟甲基嘧啶 、 2-(4-chlorobutyl)-3,5-dioxo-(2H,4H)-1,2,4-triazine 在 N,N-二异丙基乙胺 、 sodium bromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2-{4-[4-(2-tert-butyl-6-trifluoromethyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-2H-[1,2,4]triazine-3,5-dione
  参考文献：
  名称：

  [EN] 1,2,4,-TRIAZIN-3,5-DIONE COMPOUNDS FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  [FR] COMPOSÉS DE 1,2,4-TRIAZINE-3,5-DIONE DESTINÉS AU TRAITEMENT DE TROUBLES QUI RÉPONDENT À LA MODULATION DU RÉCEPTEUR DOPAMINERGIQUE D3

  摘要：

  本发明涉及公式（I）的化合物，其中A是具有4至6个碳原子链长的饱和或不饱和碳氢链，该碳氢链未被取代或被1、2或3个甲基基团取代；R1选自由氢、C1-C3烷基和氟化C1-C3烷基的群；R2是氢、卤素、氰基、C1-C3烷基、C1-C3烷氧基、氟化C1-C3烷基或氟化C1-C3烷氧基；R3选自支链C4-C6烷基和C3-C6环烷基的群，R4是C1-C6烷基、C3-C6环烷基、氟化C1-C3烷基和氟化C3-C6环烷基。以及这些化合物及其N-氧化物的生理耐受盐。本发明还涉及一种制药组合物，其包括公式（I）的至少一种化合物和/或至少一种生理耐受的酸加成盐，以及用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要的受体中施用至少一种公式（I）的化合物或生理耐受的酸加成盐的有效量。

  公开号：

  WO2009056625A1

文献信息

• 1,2,4,-TRIAZIN-3,5-DIONE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  申请人：Braje Wilfried

  公开号：US20100311755A1

  公开（公告）日：2010-12-09

  The invention relates to compounds of the formula I: wherein A is a saturated or unsaturated hydrocarbon chain having a chain length of 4 to 6 carbon atoms, the hydrocarbon chain being unsubstituted or substituted by 1, 2 or 3 methyl groups; R 1 is selected from the group consisting of hydrogen, C 1 -C 3 alkyl and fluorinated C 1 -C 3 alkyl; R 2 is hydrogen, halogen, cyano, C 1 -C 3 alkyl, C 1 -C 3 alkoxy, fluorinated C 1 -C 3 alkyl or fluorinated C 1 -C 3 alkoxy; R 3 is selected from the group consisting of branched C 4 -C 6 alkyl and C 3 -C 6 cycloalkyl, and R 4 is C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, fluorinated C 1 -C 3 -alkyl and fluorinated C 3 -C 6 cycloalkyl. and the physiologically tolerated salts of these compounds and the N-oxides thereof. The invention also relates to a pharmaceutical composition that comprises at least one compound of the formula I and/or at least one physiologically tolerated acid addition salt thereof, and further to a method for treating disorders that respond beneficially to dopamine D 3 receptor antagonists or dopamine D 3 agonists, said method comprising administering an effective amount of at least one compound or physiologically tolerated acid addition salt of the formula I to a subject in need thereof.

  本发明涉及I式化合物，其中A是饱和或不饱和的碳链，碳链长度为4到6个碳原子，碳链未取代或被1、2或3个甲基基团取代；R1选自氢、C1-C3烷基和氟化C1-C3烷基的群；R2是氢、卤素、氰基、C1-C3烷基、C1-C3烷氧基、氟化C1-C3烷基或氟化C1-C3烷氧基；R3选自支链C4-C6烷基和C3-C6环烷基的群；R4是C1-C6烷基、C3-C6环烷基、氟化C1-C3烷基和氟化C3-C6环烷基。此外，本发明还涉及这些化合物的生理上耐受的盐和其N-氧化物。本发明还涉及一种制备至少一种I式化合物和/或其生理上耐受的酸加成盐的药物组合物，以及一种治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要的受试者施用至少一种I式化合物或其生理上耐受的酸加成盐的有效量。
• 1,2,4,-TRIAZIN-3,5-DIONE COMPOUNDS FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  申请人：Abbott GmbH & Co. KG

  公开号：EP2217593A1

  公开（公告）日：2010-08-18
• US8492540B2
  申请人：——

  公开号：US8492540B2

  公开（公告）日：2013-07-23
• [EN] 1,2,4,-TRIAZIN-3,5-DIONE COMPOUNDS FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSÉS DE 1,2,4-TRIAZINE-3,5-DIONE DESTINÉS AU TRAITEMENT DE TROUBLES QUI RÉPONDENT À LA MODULATION DU RÉCEPTEUR DOPAMINERGIQUE D3
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2009056625A1

  公开（公告）日：2009-05-07

  The invention relates to compounds of the formula (I), wherein A is a saturated or unsaturated hydrocarbon chain having a chain length of 4 to 6 carbon atoms, the hydrocarbon chain being unsubstituted or substituted by 1, 2 or 3 methyl groups; R1 is selected from the group consisting of hydrogen, C1-C3alkyl and fluorinated C1-C3alkyl; R2 is hydrogen, halogen, cyano, C1-C3alkyl, C1-C3alkoxy, fluorinated C1-C3alkyl or fluorinated C1-C3alkoxy; R3 is selected from the group consisting of branched C4-C6alkyl and C3-C6cycloalkyl, and R4 is C1-C6alkyl, C3-C6cycloalkyl, fluorinated C1-C3alkyl and fluorinated C3-C6cycloalkyl. and the physiologically tolerated salts of these compounds and the N-oxides thereof. The invention also relates to a pharmaceutical composition that comprises at least one compound of the formula (I) and/or at least one physiologically tolerated acid addition salt thereof, and furtherto amethod for treating disorders that respond beneficially to dopamine D3receptor antagonists or dopamine D3 agonists, said method comprising administering an effective amount of at least one compound or physiologically tolerated acid addition salt of the formula (I) to a subject in need thereof.

  本发明涉及公式（I）的化合物，其中A是具有4至6个碳原子链长的饱和或不饱和碳氢链，该碳氢链未被取代或被1、2或3个甲基基团取代；R1选自由氢、C1-C3烷基和氟化C1-C3烷基的群；R2是氢、卤素、氰基、C1-C3烷基、C1-C3烷氧基、氟化C1-C3烷基或氟化C1-C3烷氧基；R3选自支链C4-C6烷基和C3-C6环烷基的群，R4是C1-C6烷基、C3-C6环烷基、氟化C1-C3烷基和氟化C3-C6环烷基。以及这些化合物及其N-氧化物的生理耐受盐。本发明还涉及一种制药组合物，其包括公式（I）的至少一种化合物和/或至少一种生理耐受的酸加成盐，以及用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要的受体中施用至少一种公式（I）的化合物或生理耐受的酸加成盐的有效量。