4-Cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester-4-ethyl ester

• 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-Cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester-4-ethyl ester
• 英文别名: 4-cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester；1-O-tert-butyl 4-O-ethyl 4-(cyclobutylmethyl)piperidine-1,4-dicarboxylate
• 化学式: C₁₈H₃₁NO₄
• 分子量: 325.448
• InChiKey: OQBBLDZYKSEZJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester-4-ethyl ester 生成 4-Cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester
  参考文献：
  名称：

  Melanocortin subtype 4 receptor agonists: Structure–activity relationships about the 4-alkyl piperidine core

  摘要：

  SAR about the piperidine core in a series of MC4R agonists is described. A number of alkyl substituents that furnish compounds with good affinity and functional potency are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.084
• 作为产物：
  描述：

  N-Boc-4-哌啶甲酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 4-Cyclobutylmethyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester-4-ethyl ester
  参考文献：
  名称：

  Melanocortin subtype 4 receptor agonists: Structure–activity relationships about the 4-alkyl piperidine core

  摘要：

  SAR about the piperidine core in a series of MC4R agonists is described. A number of alkyl substituents that furnish compounds with good affinity and functional potency are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.084

文献信息

• [EN] PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE COMME ANTAGONISTES DE RÉCEPTEUR DE NK3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010106081A1

  公开（公告）日：2010-09-23

  The present application relates to compounds of formula (I) wherein the definitions are as described in claim 1. It has been found that the present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本申请涉及式(I)的化合物，其中定义如权利要求1所述。已发现这些化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意力缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20100125078A1

  公开（公告）日：2010-05-20

  The present invention relates to a compounds of formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , and n are as defined herein and to a pharmaceutically active salt, a racemic mixture, an enantiomer, an optical isomer or a tautomeric form thereof. The present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及一种具有以下式I的化合物 其中 R 1 ，R 2 ，R 3 ，R 4 ，R 5 和n如本文所定义，并且涉及其药用活性盐，外消旋混合物，对映体，光学异构体或其互变异构体形式。本化合物是治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意力缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20100256126A1

  公开（公告）日：2010-10-07

  The present application relates to compounds of formula wherein the definitions are as described herein. The present compounds are high potential NK-3 receptor antagonists that are useful for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本申请涉及以下式子的化合物，其中定义如本文所述。这些化合物是高潜力的NK-3受体拮抗剂，可用于治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑症和注意力缺陷多动障碍（ADHD）。
• US8318749B2
  申请人：——

  公开号：US8318749B2

  公开（公告）日：2012-11-27
• US8324250B2
  申请人：——

  公开号：US8324250B2

  公开（公告）日：2012-12-04