4-(morpholin-4-ylcarbonyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester | 214848-11-0

• 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: 4-(morpholin-4-ylcarbonyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-(morpholine-4-carbonyl)-4-phenylpiperidine-1-carboxylate
• CAS: 214848-11-0
• 化学式: C₂₁H₃₀N₂O₄
• 分子量: 374.48
• InChiKey: GEEXXGGZRGOBEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(morpholin-4-ylcarbonyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester 在 盐酸 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 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：

  二碳酸二叔丁酯 在 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 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(morpholin-4-ylcarbonyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester
  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

• Indazole compound and pharmaceutical use thereof
  申请人：Takemiya Akihiro

  公开号：US20070173537A1

  公开（公告）日：2007-07-26

  The present invention can provide a cancer treatment drug containing, as an active ingredient, a substance selected from the group consisting of an indazole compound of the following formula (I), a pharmaceutically acceptable salt, a hydrate, a water adduct and a solvate:

  本发明可以提供一种癌症治疗药物，其包含以下公式（I）中的吲唑化合物、药用可接受盐、水合物、水加合物和溶剂化物等物质中所选的一种作为活性成分：
• INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1714961B1

  公开（公告）日：2015-12-09
• US7994196B2
  申请人：——

  公开号：US7994196B2

  公开（公告）日：2011-08-09
• 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.