1-Benzyl-4-(pyridin-3-yl)piperidine-4-carbonitrile | 752965-91-6

• 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: 1-Benzyl-4-(pyridin-3-yl)piperidine-4-carbonitrile
• 英文别名: 1-benzyl-4-(pyrid-3-yl)-4-cyanopiperidine；1-benzyl-4-pyridin-3-ylpiperidine-4-carbonitrile
• CAS: 752965-91-6
• 化学式: C₁₈H₁₉N₃
• 分子量: 277.369
• InChiKey: XOAZKHBCFYHDJH-UHFFFAOYSA-N

物化性质

• 沸点：
  449.6±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Benzyl-4-(pyridin-3-yl)piperidine-4-carbonitrile 在 sodium hydroxide 、 双氧水 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists

  摘要：

  We recently described the synthesis and characterization of MDL 105,212, a non peptide tachykinin antagonist with high affinity for NK1 and NK2 receptors.(1) Here we report the synthesis and structure-activity relationships for a series of analogs of MDL 105,212 with regards to: NK1 and NK2 receptor binding affinity, physical-chemical characterization; in vitro absorption potential; in vitro metabolic stability; and efficacy in a capsaicin-challenge conscious guinea pig model after oral administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10013-0
• 作为产物：
  描述：

  3-吡啶乙腈 在 sodium hydroxide 、 水 、 十六烷基三丁基溴化磷 作用下， 以 水 、 乙二醇 为溶剂， 反应 16.5h， 生成 1-Benzyl-4-(pyridin-3-yl)piperidine-4-carbonitrile
  参考文献：
  名称：

  CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS

  摘要：

  公开号：

  EP1077942B1

文献信息

• Substituted Sulfonamide Compounds
  申请人：OBERBOERSCH Stefan

  公开号：US20090253669A1

  公开（公告）日：2009-10-08

  Substituted sulfonamide compounds corresponding to the formula I: processes for the preparation thereof, pharmaceutical composition containing these compounds and the use of substituted sulfonamide compounds for the preparation of pharmaceutical compositions.

  对应于公式I的取代磺胺基化合物：其制备方法，含有这些化合物的药物组合物以及利用取代磺胺基化合物制备药物组合物的用途。
• SUBSTITUTED SULFONAMIDE DERIVATIVES
  申请人：Grünenthal GmbH

  公开号：EP2257527A1

  公开（公告）日：2010-12-08
• [EN] SUBSTITUTED SULFONAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE SULFONAMIDE SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2009115257A1

  公开（公告）日：2009-09-24

  The invention relates to substituted sulfonamide derivatives, processes for the preparation thereof, medicament containing these compounds and the use of substituted sulfonamide derivatives for the preparation of medicaments.
• CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS
  申请人：Aventis Pharmaceuticals Inc.

  公开号：EP1077942B1

  公开（公告）日：2005-01-12
• Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists
  作者：Timothy P. Burkholder、Elizabeth M. Kudlacz、George D. Maynard、Xiao-Gao Liu、Tieu-Binh Le、Mark E. Webster、Stephen W. Horgan、David L. Wenstrup、David W. Freund、Fred Boyer、Larry Bratton、Raymond S. Gross、Robert W. Knippenberg、Deborah E. Logan、Bryan K. Jones、Teng-Man Chen、Julie L. Geary、Melinda A. Correll、J. Chuck Poole、Arun K. Mandagere、Thomas N. Thompson、Kin-Kai Hwang

  DOI：10.1016/s0960-894x(97)10013-0

  日期：1997.10

  We recently described the synthesis and characterization of MDL 105,212, a non peptide tachykinin antagonist with high affinity for NK1 and NK2 receptors.(1) Here we report the synthesis and structure-activity relationships for a series of analogs of MDL 105,212 with regards to: NK1 and NK2 receptor binding affinity, physical-chemical characterization; in vitro absorption potential; in vitro metabolic stability; and efficacy in a capsaicin-challenge conscious guinea pig model after oral administration. (C) 1997 Elsevier Science Ltd.