tert-butyl (4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)carbamate | 740873-31-8

• 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: tert-butyl (4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)carbamate
• 英文别名: tert-butyl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
• CAS: 740873-31-8
• 化学式: C₂₀H₃₃N₃O₃
• 分子量: 363.5
• InChiKey: KONGZRYXSLUXFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)carbamate 在 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  [EN] NEW ARYLPIPERAZINYL COMPOUNDS
  [FR] NOUVEAUX COMPOSES D'ARYLPIPERAZINYLE

  摘要：

  公开号：

  WO2004069794A3
• 作为产物：
  描述：

  4-(N-叔丁氧羰基氨基)-1-丁醇 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.08h， 生成 tert-butyl (4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)carbamate
  参考文献：
  名称：

  Structure–Activity Relationships of Privileged Structures Lead to the Discovery of Novel Biased Ligands at the Dopamine D₂ Receptor

  摘要：

  Biased agonism at GPCRs highlights the potential for the discovery and design of pathway-selective ligands and may confer therapeutic advantages to ligands targeting the dopamine D-2 receptor (D2R). We investigated the determinants of efficacy, affinity, and bias for three privileged structures for the D2R, exploring changes to linker length and incorporation of a heterocyclic unit. Profiling the compounds in two signaling assays (cAMP and pERK1/2) allowed us to identify and quantify determinants of biased agonism at the D2R. Substitution on the phenylpiperazine privileged structures (2-methoxy vs 2,3-dichloro) influenced bias when the thienopyridine heterocycle was absent. Upon inclusion of the thienopyridine unit, the substitution pattern (4,6-dimethyl vs 5-chloro-6-methoxy-4-methyl) had a significant effect on bias that overruled the effect of the phenylpiperazine substitution pattern. This latter observation could be reconciled with an extended binding mode for these compounds, whereby the interaction of the heterocycle with a secondary binding pocket may engender bias.

  DOI：

  10.1021/jm500457x

文献信息

• Arylpiperazinyl compounds
  申请人：Dhanoa S. Dale

  公开号：US20070004742A1

  公开（公告）日：2007-01-04

  The invention relates to 5-HT receptor agonists or antagonists. Novel arylpiperazinyl sulfonamide compounds represented by Formula I, and synthesis and uses thereof for treating diseases including those mediated directly or indirectly by 5-HT receptors, are disclosed. Such conditions include central nervous system disorders such as generalized anxiety disorder, ADD/ADHD, neural injury, stroke, and migraine. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also included.

  本发明涉及5-HT受体激动剂或拮抗剂。公开了由式I表示的新型芳基哌嗪磺酰胺化合物及其合成和用途，用于治疗由5-HT受体直接或间接介导的疾病。这些疾病包括中枢神经系统疾病，如广泛性焦虑症、注意力缺陷/多动障碍、神经损伤、中风和偏头痛。还包括制备方法、新型中间体和其制药盐。
• Arylpiperazinyl Compounds
  申请人：Dhanoa S. Dale

  公开号：US20080027066A1

  公开（公告）日：2008-01-31

  The invention relates to 5-HT receptor agonists or antagonists. Novel arylpiperazinyl sulfonamide compounds represented by Formula I, and synthesis and uses thereof for treating diseases including those mediated directly or indirectly by 5-HT receptors, are disclosed. Such conditions include central nervous system disorders such as generalized anxiety disorder, ADD/ADHD, neural injury, stroke, and migraine. Methods of preparation and novel intermediates and pharmaceutical salts thereof are also included.

  该发明涉及5-HT受体激动剂或拮抗剂。公开了由式I表示的新型芳基哌嗪磺酰胺化合物及其合成和用途，用于治疗包括直接或间接通过5-HT受体介导的疾病。这些疾病包括中枢神经系统疾病，如广泛性焦虑症，ADD / ADHD，神经损伤，中风和偏头痛。还包括制备方法、新型中间体和药物盐。
• US7491727B2
  申请人：——

  公开号：US7491727B2

  公开（公告）日：2009-02-17
• US7488731B2
  申请人：——

  公开号：US7488731B2

  公开（公告）日：2009-02-10
• [EN] NEW ARYLPIPERAZINYL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES D'ARYLPIPERAZINYLE
  申请人：PREDIX PHARMACEUTICALS HOLDING

  公开号：WO2004069794A3

  公开（公告）日：2004-11-04