Ethyl 4-[(2-nitropyridin-3-yl)amino]piperidine-1-carboxylate | 618900-39-3

• 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: Ethyl 4-[(2-nitropyridin-3-yl)amino]piperidine-1-carboxylate
• CAS: 618900-39-3
• 化学式: C₁₃H₁₈N₄O₄
• 分子量: 294.31
• InChiKey: MUXHNFPXSRWSLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl 4-[(2-nitropyridin-3-yl)amino]piperidine-1-carboxylate 在 盐酸 、 锌 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Benzodiazepine calcitonin gene-related peptide (CGRP) receptor antagonists: Optimization of the 4-substituted piperidine

  摘要：

  In our continuing effort to identify CGRP receptor antagonists for the acute treatment of migraine, we have undertaken a study to evaluate alternative 4-substituted piperidines to the lead dihydroquinazolinone 1. In this regard, we have identified the piperidinyl-azabenzimidazolone and phenylimidazolinone structures which, when incorporated into the benzodiazepine core, afford potent CGRP receptor antagonists (e.g., 18 and 29). These studies produced a potent analog (18) which overcomes the instability issues associated with the lead structure 1. A general pharmacophore for the 4-substituted piperidine component of these CGRP receptor antagonists is also presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.044
• 作为产物：
  描述：

  3-乙氧基-2-硝基吡啶 、 4-氨基-1-哌啶甲酸乙酯 以 二氯甲烷 为溶剂， 反应 48.0h， 以21%的产率得到Ethyl 4-[(2-nitropyridin-3-yl)amino]piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF
  [FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2008108958A8

文献信息

• BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Aslanian Robert G.

  公开号：US20100144591A1

  公开（公告）日：2010-06-10

  The present invention relates to compounds of formula (I); compositions comprising the compounds, and methods of using the compounds to treat or prevent pain, diabetes, a diabetic complication, impaired glucose tolerance (IGT) or impaired fasting glucose (IGT) in a patient.