N-[4-[2-[4-[2-tert-butyl-6-(2-hydroxy-2-methylpropyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethyl]cyclohexyl]formamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-[4-[2-[4-[2-tert-butyl-6-(2-hydroxy-2-methylpropyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethyl]cyclohexyl]formamide
• 化学式: C₂₆H₄₅N₅O₂
• 分子量: 459.7
• InChiKey: SGAYZDODELFKGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• [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：WO2014064038A1

  公开（公告）日：2014-05-01

  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 hydrogen or C1-C3-alkyl, R2 is selected from the group consisting of hydrogen, 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 an oxygen containing radical such as 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, C3-C5 cycloalkoxy-C1-C4-alkyl and fluorinated C3-C5 cycloalkoxy-C1-C4-alkyl.

  本发明涉及新型酰胺环烷基化合物，特别是本文所述的具有以下式（I）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性能，并且特别适用于治疗对多巴胺D3受体调节产生反应的疾病。在式（I）中，变量具有以下含义：m为1或2，n为1或2，A从CH2、 、CHF 和CF2 组成的群体中选择，R1为氢或C1-C3-烷基，R2从氢和氟中选择，R3a从氢和甲基中选择，R3b从氢和甲基中选择，R4为支链C4-C6烷基或支链氟化C4-C6烷基，R5为含氧基团，例如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，C3-C5环烷氧基-C1-C4-烷基和氟化C3-C5环烷氧基-C1-C4-烷基。
• ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20140194437A1

  公开（公告）日：2014-07-10

  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 hydrogen or C 1 -C 3 -alkyl, R 2 is selected from the group consisting of hydrogen, 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 an oxygen containing radical such as 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, C 3 -C 5 cycloalkoxy-C 1 -C 4 -alkyl and fluorinated C 3 -C 5 cycloalkoxy-C 1 -C 4 -alkyl.

  本发明涉及新型酰胺环烷基化合物，特别是本文所述的I式化合物及其盐和N-氧化物。该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、 、CHF 和CF2 的群，R1为氢或C1-C3烷基，R2选自氢和氟，R3a选自氢和甲基，R3b选自氢和甲基，R4为支链C4-C6烷基或支链氟代C4-C6烷基，R5为含氧基团，例如C1-C2-烷氧基-C1-C4-烷基、氟代C1-C2-烷氧基-C1-C4-烷基、羟基-C1-C4-烷基、氟代羟基-C1-C4-烷基、氧杂环丙基、氟代氧杂环丙基、氧杂环戊基、氟代氧杂环戊基、C3-C5环烷基、氟代C3-C5环烷基、C3-C5环烷氧基-C1-C4-烷基和氟代C3-C5环烷氧基-C1-C4-烷基。
• EP2909201A1
  申请人：——

  公开号：EP2909201A1

  公开（公告）日：2015-08-26