N,N-di-n-propyl-4-[phenyl(exo-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-di-n-propyl-4-[phenyl(exo-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
• 化学式: C₃₄H₄₃N₃O
• 分子量: 509.735
• InChiKey: ZYJSDERZORMBNJ-VZRBIBDDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.33
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.79
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  托品酮 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 乙醇 、 三叔丁基膦 、 1-氯乙基氯甲酸酯 、 sodium 、 三乙酰氧基硼氢化钠 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium t-butanolate 作用下， 以 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 2.0h， 生成 N,N-di-n-propyl-4-[phenyl(exo-8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
  参考文献：
  名称：

  Synthesis and binding affinities of 4-diarylaminotropanes, a new class of delta opioid agonists

  摘要：

  A series of 4-diarylaminotropanes has been prepared. Both endo and exo diastereomeric forms bound to the delta opioid receptor but the endo isomers were more potent and selective versus the mu opioid receptor than the exo isomers. The most potent delta opioid agonist (14) exhibited a delta opioid K-i of 0.2 nM and was 860-fold selective over mu. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00182-7

文献信息

• 4-[ARYL(8-AZABICYCLO[3.2.1] OCTAN-3-YL)] AMINOBENZOIC ACID DERIVATIVES
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1242421A1

  公开（公告）日：2002-09-25
• US6306876B1
  申请人：——

  公开号：US6306876B1

  公开（公告）日：2001-10-23
• [EN] 4-[ARYL(8-AZABICYCLO[3.2.1]OCTAN-3-YL)]AMINOBENZOIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE AMINOBENZOIQUE 4-[ARYL(8-AZABICYCLO[3.2.1]OCTANE-3-YL)
  申请人：ORTHO MCNEIL PHARM INC

  公开号：WO2001046191A1

  公开（公告）日：2001-06-28

  4-[aryl(8-azabicyclo[3.2.1]octan-3yl)]aminobenzoic acid derivatives are delta-opioid receptor modulators. As delta-opioid receptor agonists, such compounds are useful as analgesics. Depending on their antagonist effect, such compounds may also be useful immunosuppressants, antiinflammatory agents, agents for the treatment of neurological and psychiatric conditions, medicaments for drug and alcohol abuse, agents for treating gastritis and diarrhea, cardiovascular agents and agents for the treatment of respiratory diseases.
• Synthesis and binding affinities of 4-diarylaminotropanes, a new class of delta opioid agonists
  作者：Robert E. Boyd、John R. Carson、Ellen E. Codd、A.Diane Gauthier、Lou Anne Neilson、Sui-Po Zhang

  DOI：10.1016/s0960-894x(00)00182-7

  日期：2000.5

  A series of 4-diarylaminotropanes has been prepared. Both endo and exo diastereomeric forms bound to the delta opioid receptor but the endo isomers were more potent and selective versus the mu opioid receptor than the exo isomers. The most potent delta opioid agonist (14) exhibited a delta opioid K-i of 0.2 nM and was 860-fold selective over mu. (C) 2000 Elsevier Science Ltd. All rights reserved.