4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester | 846060-68-2

• 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-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
• CAS: 846060-68-2
• 化学式: C₂₂H₃₂N₂O₃
• 分子量: 372.508
• InChiKey: IOZBQAOCOBSQGK-UHFFFAOYSA-N

物化性质

• 沸点：
  518.7±50.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylic 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：

  4-苯基-4-哌啶羧酸对甲基苯磺酸 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-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylic 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

• [EN] CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE CYCLOPROPYLE UTILISES COMME ANTAGONISTES DU RECEPTEUR DE NK3
  申请人：LUNDBECK & CO AS H

  公开号：WO2005016884A1

  公开（公告）日：2005-02-24

  The present invention relates to cyclopropyl derivatives of formula (I) and salt thereof. These compounds are NK3 receptor antagonists and may therefore be useful for treatment of diseases where the NK3 receptor is implicated, e.g. psychotic disorders.

  本发明涉及式(I)的环丙基衍生物及其盐。这些化合物是NK3受体拮抗剂，因此可能对涉及NK3受体的疾病，如精神障碍，具有治疗作用。
• Cyclopropyl derivatives as nk3 receptor antagonists
  申请人：Kehler Jan

  公开号：US20060281746A1

  公开（公告）日：2006-12-14

  The present invention relates to cyclopropyl derivatives of formula (I) and salt thereof. These compounds are NK3 receptor antagonists and may therefore be useful for treatment of diseases where the NK3 receptor is implicated, e.g. psychotic disorders.

  本发明涉及式（I）的环丙基衍生物及其盐。这些化合物是NK3受体拮抗剂，因此可能对涉及NK3受体的疾病如精神疾患的治疗有用。
• Cyclopropyl derivatives as NK3 receptor antagonists
  申请人：H. Lundbeck A/S

  公开号：US07834008B2

  公开（公告）日：2010-11-16

  The present invention relates to cyclopropyl derivatives of formula (I) and salt thereof. These compounds are NK3 receptor antagonists and may therefore be useful for treatment of diseases where the NK3 receptor is implicated, e.g. psychotic disorders.

  本发明涉及公式(I)的环丙基衍生物及其盐。这些化合物是NK3受体拮抗剂，因此可能对涉及NK3受体的疾病，例如精神疾患的治疗有用。
• Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists
  作者：Kaimei Cho、Makoto Ando、Kensuke Kobayashi、Hiroshi Miyazoe、Toshiaki Tsujino、Sayaka Ito、Tomoki Suzuki、Takeshi Tanaka、Shigeru Tokita、Nagaaki Sato

  DOI：10.1016/j.bmcl.2009.06.050

  日期：2009.8

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.
• CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：H. LUNDBECK A/S

  公开号：EP1656349A1

  公开（公告）日：2006-05-17