N-{(1S)-1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}acetamide | 455956-93-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 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: N-{(1S)-1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}acetamide
• 英文别名: MK-0493 free base；N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]ethyl]acetamide
• CAS: 455956-93-1
• 化学式: C₃₀H₃₈ClF₂N₃O₂
• 分子量: 546.1
• InChiKey: ZCWVNCMFYHPHCX-RHLLTPQKSA-N

物化性质

• 沸点：
  665.6±55.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-{(1S)-1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}acetamide 在 氢溴酸 作用下， 以 水 为溶剂， 反应 24.0h， 生成 N-{(1S)-1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}-acetamide hydrobromide
  参考文献：
  名称：

  WO2007/2462

  摘要：

  公开号：
• 作为产物：
  描述：

  N-[(1S)-1-(5-Chloro-2-Piperidin-4-Ylphenyl)Ethyl]Acetamide Hydrochloride 在 N,N'-羰基二咪唑 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 N-{(1S)-1-[2-(1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}acetamide
  参考文献：
  名称：

  WO2007/2462

  摘要：

  公开号：

文献信息

• Acylated piperidine derivatives as melanocortin-4 receptor agonists
  申请人：——

  公开号：US20030225060A1

  公开（公告）日：2003-12-04

  Certain novel 4-substituted N-acylated piperidine derivatives are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

  某些新颖的4-取代N-酰化哌啶衍生物是人类黑色素皮质激素受体的激动剂，特别是人类黑色素皮质激素受体-4（MC-4R）的选择性激动剂。因此，它们对于治疗、控制或预防对MC-4R激活敏感的疾病和紊乱是有用的，如肥胖症、糖尿病、性功能障碍，包括勃起功能障碍和女性性功能障碍。
• Crystalline forms of mc4r agonist and process for synthesis
  申请人：Calabria Ralph

  公开号：US20090233967A1

  公开（公告）日：2009-09-17

  The present invention relates to a process for producing N-(1S)-1-[2-(1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}piperidin-4-yl)-5-chlorophenyl]ethyl}acetamide, and novel crystalline salts, hydrates, solvates, and polymorphic forms thereof.

  本发明涉及一种制备N-(1S)-1-[2-(1-[(3S,4R)-1-叔丁基-4-(2,4-二氟苯基)吡咯烷-3-基]羰基}哌啶-4-基)-5-氯苯基]乙基}乙酰胺和其新的结晶盐、水合物、溶剂化合物和多晶形式的过程。
• Combination therapy for the treatment of obesity
  申请人：MacNeil J. Douglas

  公开号：US20050288213A1

  公开（公告）日：2005-12-29

  The present invention relates to compositions comprising a NPY5 antagonist of formula I or II and an anti-obesity agent, useful for the treatment and prevention of diabetes, obesity and obesity-related disorders. The present invention further relates to methods of treating or preventing obesity and obesity-related disorder in a subject in need thereof by administering a composition of the present invention. The present invention further provides for pharmaceutical compositions, medicaments, and kits useful in carrying out these methods.

  本发明涉及由式 I 或式 II 的 NPY5 拮抗剂和抗肥胖药组成的组合物。 和一种抗肥胖剂，可用于治疗和预防糖尿病、肥胖症和肥胖相关疾病。本发明进一步涉及通过施用本发明的组合物治疗或预防有需要的受试者的肥胖和肥胖相关疾病的方法。本发明进一步提供了用于实施这些方法的药物组合物、药剂和试剂盒。
• ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1383501B1

  公开（公告）日：2007-04-04
• Combination Therapy for the Treatment of Obesity
  申请人：Amatruda M. John

  公开号：US20080064632A1

  公开（公告）日：2008-03-13

  The present invention relates to compositions comprising PYY, PYY 3-36 , or a PYY agonist, and an anti-obesity agent, useful for the treatment and prevention of obesity and obesity-related disorders. The present invention further relates to methods of treating or preventing obesity and obesity-related disorder in a subject in need thereof by administering a composition of the present invention. The present invention further provides for pharmaceutical compositions, medicaments, and kits useful in carrying out these methods.