Trans-4-(2-(4-(2-(tert-butyl)-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl)ethyl)cyclohexanamine

• 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: Trans-4-(2-(4-(2-(tert-butyl)-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl)ethyl)cyclohexanamine
• 英文别名: 4-[2-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine
• 化学式: C₂₄H₄₁N₅
• 分子量: 399.6
• InChiKey: JVTTUNJNKMURGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  58.3
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR
  申请人：AbbVie Inc.

  公开号：US20140303176A1

  公开（公告）日：2014-10-09

  The present invention relates to novel acylaminocycloalkyl compounds, in particular to the compounds of the formula I as described herein and to their salts and N-oxides. The compounds possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of the dopamine D3 receptor. In formula I, the variables have the following meanings: m is 1 or 2, n is 1 or 2, A is selected from the group consisting of CH 2 , CH 2 CH 2 , CHFCH 2 and CF 2 CH 2 , R 1 is an oxygen containing cyclic radical selected such as C 3 -C 6 cycloalkyl, which carries one or two oxygen containing radicals selected from the group consisting of OH, C 1 -C 2 -alkoxy, fluorinated C 1 -C 2 -alkoxy, and a carbonyl oxygen, R 2 is selected from the group consisting of hydrogen, OH and fluorine, R 3a is selected from the group consisting of hydrogen and methyl, R 3b is selected from the group consisting of hydrogen and methyl, R 4 is branched C 4 -C 6 alkyl or branched fluorinated C 4 -C 6 alkyl, and R 5 is inter alia C 1 -C 6 alkyl, fluorinated C 1 -C 3 alkyl, C 1 -C 2 -alkoxy-C 1 -C 4 -alkyl, fluorinated C 1 -C 2 -alkoxy-C 1 -C 4 -alkyl, hydroxy-C 1 -C 4 -alkyl, fluorinated hydroxy-C 1 -C 4 -alkyl, oxetanyl, fluorinated oxetanyl, oxolanyl, fluorinated oxolanyl, C 3 -C 5 cycloalkyl, fluorinated C 3 -C 5 cycloalkyl, etc.

  本发明涉及新颖的酰基氨基环烷化合物，特别是如下式I所述的化合物及其盐和N-氧化物。这些化合物具有有价值的治疗特性，特别适用于治疗对多巴胺D3受体调节有反应的疾病。在式I中，变量具有以下含义：m为1或2，n为1或2，A选自CH2、CH2CH2、CHFCH2和CF2CH2组成的群，R1为含氧环基，选自C3-C6环烷基，其携带一个或两个选自OH、C1-C2-烷氧基、氟化C1-C2-烷氧基和一个羰基氧的含氧基团，R2选自氢、OH和氟，R3a选自氢和甲基，R3b选自氢和甲基，R4为支链C4-C6烷基或支链氟化C4-C6烷基，R5包括C1-C6烷基、氟化C1-C3烷基、C1-C2-烷氧基-C1-C4-烷基、氟化C1-C2-烷氧基-C1-C4-烷基、羟基-C1-C4-烷基、氟化羟基-C1-C4-烷基、氧杂环丙基、氟化氧杂环丙基、氧杂环戊基、氟化氧杂环戊基、C3-C5环烷基、氟化C3-C5环烷基等。
• US20140275104A1
  申请人：——

  公开号：US20140275104A1

  公开（公告）日：2014-09-18
• US9388141B2
  申请人：——

  公开号：US9388141B2

  公开（公告）日：2016-07-12
• US9388148B2
  申请人：——

  公开号：US9388148B2

  公开（公告）日：2016-07-12
• [EN] ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSÉS D'ACYLAMINOCYCLOALKYLE APPROPRIÉS POUR LE TRAITEMENT DE TROUBLES RÉPONDANT À LA MODULATION DU RÉCEPTEUR D3 DE LA DOPAMINE
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140246A1

  公开（公告）日：2014-09-18

  The present invention relates to novel acylaminocycloalkyl compounds, in particular to the compounds of the formula I as described herein and to their salts and N-oxides. The compounds possess valuable therapeutic properties and are suitable, in particular, for treating diseases that respond to modulation of the dopamine D3 receptor. In formula I, the variables have the following meanings: m is 1 or 2, n is 1 or 2, A is selected from the group consisting of CH2, CH2CH2, CHFCH2 and CF2CH2, R1 is an oxygen containing cyclic radical selected such as C3-C6 cycloalkyl, which carries one or two oxygen containing radicals selected from the group consisting of OH, C1-C2-alkoxy, fluorinated C1-C2-alkoxy, and a carbonyl oxygen,, R2 is selected from the group consisting of hydrogen, OH and fluorine, R3a is selected from the group consisting of hydrogen and methyl, R3b is selected from the group consisting of hydrogen and methyl, R4 is branched C4-C6 alkyl or branched fluorinated C4-C6 alkyl, and R5 is inter alia C1-C6 alkyl, fluorinated C1-C3 alkyl, C1-C2-alkoxy-C1-C4-alkyl, fluorinated C1-C2-alkoxy-C1-C4-alkyl, hydroxy-C1-C4-alkyl, fluorinated hydroxy-C1-C4-alkyl, oxetanyl, fluorinated oxetanyl, oxolanyl, fluorinated oxolanyl, C3-C5 cycloalkyl, fluorinated C3-C5 cycloalkyl, etc.