2-Butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]octane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]octane
• 化学式: C₁₇H₂₄ClN
• 分子量: 277.8
• InChiKey: WMLOEBAIZFLYKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• 2-3-disubstituted quinuclidiness as modulators of monoamine transporters and theraperutic and diagnostic methods based thereon
  申请人：Wang Shaomeng

  公开号：US20050131051A1

  公开（公告）日：2005-06-16

  The present invention relates to a class of compounds of formula (I) and (II): wherein R 1 is hydrogen; linear or branched C 1 -C 15 alkyl; C 1 -C 15 alkenyl; C 3 -C 6 cycloalkyl; mono, di, tri, tetra, penta substituted aryl or heteroaryl; COOR 3 ; —(CH 2 ) n -aryl; —COO—(CH 2 ) n R 3 ; —(CH 2 ) n —COOR 3 ; —C(O)R 3 ; —C(O)NHR 3 ; or an unsubstituted or substituted oxadiazole; and R 2 is hydrogen; linear or branched C 1 -C 15 alkyl; C 1 -C 15 alkenyl; C 3 -C 6 cycloalkyl; mono, di, tri, tetra, penta substituted aryl or heteroaryl; unsubstituted or substituted naphthyl; 1,3-Benzodioxole; fluorene; indole; isoquinoline; quinoline; pyridine; pyrimidine; onnthracene; or —(CH 2 ) n -Ph; wherein the heteroaryl comprises N, O, or S, the mono or multi substituents on the aryl or heteroaryl are independently C 1 -C 5 alkyl, C 1 -C 5 alkenyl, H, F, Cl, Br, I, —NO2, NHR, or —OR, R is C 1 -C 7 alkyl; R 3 is C1-C5 alkyl, C1-C5 alkenyl, benzyl, substituted aryl or heteroaryl; and n=1-7. These compounds are discovered, synthesized and confirmed as potent inhibitors of dopamine (DA), serotonin (5-HT), and norepinephrine inhibitors. These compounds are therefore particularly useful in the treatment conditions or diseases wherein modulation of the monoamine neurotransmitter system involving dopamine (DA), serotonin (5-HT), and norepinephrine plays a role.

  本发明涉及一类式（I）和（II）的化合物：其中，R1为氢；线性或支链C1-C15烷基；C1-C15烯基；C3-C6环烷基；单取代、双取代、三取代、四取代、五取代芳基或杂芳基；COOR3；—(CH2)n-芳基；—COO—(CH2)nR3；—(CH2)n—COOR3；—C(O)R3；—C(O)NHR3；或未取代或取代的噁二唑基；R2为氢；线性或支链C1-C15烷基；C1-C15烯基；C3-C6环烷基；单取代、双取代、三取代、四取代、五取代芳基或杂芳基；未取代或取代的萘基；1,3-苯并二氧杂环；芴；吲哚；异喹啉；喹啉；吡啶；嘧啶；蒽；或—(CH2)n-苯基；其中，杂芳基包括N、O或S，芳基或杂芳基上的单个或多个取代基独立地为C1-C5烷基，C1-C5烯基，H，F，Cl，Br，I，—NO2，NHR或—OR，R为C1-C7烷基；R3为C1-C5烷基，C1-C5烯基，苄基，取代的芳基或杂芳基；n=1-7。这些化合物被发现、合成并确认为多巴胺（DA）、血清素（5-HT）和去甲肾上腺素抑制剂的有效抑制剂。因此，在调节多巴胺（DA）、血清素（5-HT）和去甲肾上腺素的单胺类神经递质系统在疾病或病症治疗中发挥作用的情况下，这些化合物特别有用。
• EP1315493A4
  申请人：——

  公开号：EP1315493A4

  公开（公告）日：2007-12-05
• 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON
  申请人：GEORGETOWN UNIVERSITY

  公开号：EP1315493A1

  公开（公告）日：2003-06-04
• [EN] 2-3-DISUBSTITUTED QUINUCLIDINES AS MODULATORS OF MONOAMINE TRANSPORTERS AND THERAPEUTIC AND DIAGNOSTIC METHODS BASED THEREON<br/>[FR] QUINUCLIDINES 2-3-DISUBSTITUEES SERVANT DE MODULATEURS DE TRANSPORTEUR DE MONOAMINE ET PROCEDES THERAPEUTIQUES ET DIAGNOSTIQUES SE BASANT SUR CELLES-CI
  申请人：UNIV GEORGETOWN

  公开号：WO2002015906A1

  公开（公告）日：2002-02-28

  The present invention relates to a class of compounds of formula (I) and (II): wherein R1 is hydrogen; linear or branched C1-C15 alkyl; C1-C15 alkenyl; C3-C6 cycloalkyl; mono, di, tri, tetra, penta substituted aryl or heteroaryl; COOR3; -(CH2)n-aryl; -COO-(CH2)nR3;-(CH2)n-COOR3;-C(O)R3;-C(O)NHR3; or an unsubstituted or substituted oxadiazole; and R2 hydrogen; linear or branched C1-C15 alkyl; C1-C15 alkenyl; C3-C6 cycloalkyl; mono, di, tri, tetra, penta substituted aryl or heteroaryl; unsubstituted or substituted naphthyl; 1, 3-Benzodioxole; fluorine; indole; isoquinoline; quinoline; pyridine; pyrimidine; onnthracene; or-(CH2)n-Ph; wherein the heteroaryl comprises N, O, or S, the mono or multi substituents on the aryl or heteroaryl are independently C1-C5 alkyl, C1-C5 alkenyl, H, F, Cl, Br, I NO2, NHR , or OR, R is C1-C7 alkyl; R3 is C1-C5 alkyl, C1-C5 alkenyl, benzyl, substituted aryl or heteroaryl; and n = 1-7. These compounds are discovered , synthesized and confirmed as potent inhibitors of dopamine (DA), serotonin (5-HT),and norepinephrine inhibitors. These compounds are therefore particularly useful in the treatment conditions or diseases wherein modulation of the monoamine neurotransmitter system involving dopamine (DA), serotonin (5-HT), and norepinephrine plays a role.