1-[(4-苯基哌啶-4-基)羰基]哌啶单盐酸盐 | 83863-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-[(4-苯基哌啶-4-基)羰基]哌啶单盐酸盐
• 英文名称: 1-[(4-Phenylpiperidin-4-yl)carbonyl]piperidine hydrochloride
• 英文别名: (4-phenylpiperidin-4-yl)-piperidin-1-ylmethanone;hydrochloride
• CAS: 83863-47-2
• 化学式: C₁₇H₂₄N₂O*ClH
• 分子量: 308.851
• InChiKey: HRPFHZZRQIGZFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[(4-苯基哌啶-4-基)羰基]哌啶单盐酸盐 、 在 potassium carbonate 作用下， 以 四氢呋喃 、 水 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：

  保护的4-苯基哌啶-4-羧酸 在 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 1-[(4-苯基哌啶-4-基)羰基]哌啶单盐酸盐
  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

文献信息

• 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.