N-2-氨乙基高哌啶 | 51388-00-2

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: N-2-氨乙基高哌啶
• 中文别名: 2-(1-氮杂环戊基)乙胺1HCL
• 英文名称: 2-azepan-1-ylethylamine
• 英文别名: 1-(2-aminoethyl)-hexahydro-1H-azepine；2-(azepan-1-yl)ethanamine；2-azepan-1-yl-ethylamine；2-hexahydroazepin-1-yl-ethylamine；2-Hexahydroazepin-1-yl-aethylamin；N-(2-aminoethyl)hexamethyleneimine
• CAS: 51388-00-2
• 化学式: C₈H₁₈N₂
• mdl: MFCD00046120
• 分子量: 142.244
• InChiKey: QHRBDFUMZORTQD-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C
• 沸点：
  46-52°C/1mm
• 密度：
  0.908±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 储存条件：
  2-8°C

制备方法与用途

N-2-氨乙基高哌啶可用作医药合成中间体。如吸入此物质，请将患者移至空气新鲜处；若皮肤接触，脱去污染衣物，用肥皂水和清水彻底冲洗皮肤；如有不适，请及时就医；若眼睛接触到该物质，请翻开眼睑，用流动清水或生理盐水冲洗，并立即就医；如误食，请立即漱口，禁止催吐，并尽快就医。

反应信息

• 作为反应物：
  描述：

  N-2-氨乙基高哌啶 在 copper(ll) sulfate pentahydrate 、 triflic azide 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成 1-(2-叠氮基乙基)氮杂环庚烷
  参考文献：
  名称：

  Selectivity Optimization of Substituted 1,2,3-Triazoles as α7 Nicotinic Acetylcholine Receptor Agonists

  摘要：

  Three series of substituted anti-1,2,3-triazoles (IND, PPRD, and QND), synthesized by cycloaddition from azide and alkyne building blocks, were designed to enhance selectivity and potency profiles of a lead alpha 7 nicotinic acetylcholine receptor (alpha 7-nAChR) agonist, TTIn-1. Designed compounds were synthesized and screened for affinity by a radioligand binding assay. Their functional characterization as agonists and antagonists was performed by fluorescence resonance energy transfer assay using cell lines expressing transfected cDNAs, alpha 7-nAChRs, alpha 4 beta 2-nAChRs, and 5HT(3A), receptors, and a fluorescence cell reporter. In the END series, a tropane ring of TTIn-1, substituted at Ni, was replaced by mono- and bicyclic amines to vary length and conformational flexibility of a carbon linker between nitrogen atom and Ni of the triazole. Compounds with a two-carbon atom linker optimized binding with K-d's at the submicromolar level. Further modification at the hydrophobic indole of TTIn-1 was made in PPRD and QND series by fixing the amine center with the highest affinity building blocks in the IND series. Compounds from IND and PPRD series are selective as agonists for the alpha 7-nAChRs over alpha 4 beta 2-nAChRs and 5HT(3A) receptors. Lead compounds in the three series have EC50's between 28 and 260 nM. Based on the EC50, affinity, and selectivity determined from the binding and cellular responses, two of the leads have been advanced to behavioral studies described in the companion article (DOI: 10.1021/acschemneuro.5b00059).

  DOI：

  10.1021/acschemneuro.5b00058
• 作为产物：
  描述：

  环己亚胺 在 镍 氨 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 5.0~70.0 ℃ 、413.7 kPa 条件下， 反应 16.5h， 生成 N-2-氨乙基高哌啶
  参考文献：
  名称：

  WO2006/104406

  摘要：

  公开号：

文献信息

• [EN] QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER<br/>[FR] DERIVES DE QUINAZOLINE A UTILISER CONTRE LE CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2006040526A1

  公开（公告）日：2006-04-20

  The invention concerns quinazoline derivatives of Formula (I) or a pharmaceutically-acceptable salt, solvate or pro-drug thereof, wherein each of p, R1, q, R2, R3, R4, R5, Ring A, X1, R6, r and R7 has any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  本发明涉及式(I)喹唑啉衍生物或其药物可接受的盐、溶剂化物或前药，其中p、R1、q、R2、R3、R4、R5、环A、X1、R6、r和R7各自具有说明书中定义的任何含义；其制备方法、含有它们的药物组合物以及它们在制造用于治疗细胞增殖障碍或治疗与血管生成和/或血管通透性相关的疾病状态的药物中的应用。
• ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF
  申请人：Arigon Jérôme

  公开号：US20120094986A1

  公开（公告）日：2012-04-19

  The invention relates to nicotinamide derivatives which can be used as anticancer drugs.

  这项发明涉及可用作抗癌药物的烟酰胺衍生物。
• QUINOLINE DERIVATIVES
  申请人：Jung Frederic Henri

  公开号：US20090076075A1

  公开（公告）日：2009-03-19

  The invention concerns quinoline derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of X 1 , p, R 1 , q, R 2 , R 3 , R 4 , R 5 Ring A, r and R 6 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  这项发明涉及公式I的喹啉衍生物或其药用盐，其中X 1 ，p，R 1 ，q，R 2 ，R 3 ，R 4 ，R 5 ，环A，r和R 6 中的每一个具有在描述中定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。
• [EN] NAMPT INHIBITORS<br/>[FR] INHIBITEURS DE LA NAMPT
  申请人：ABBOTT LAB

  公开号：WO2013067710A1

  公开（公告）日：2013-05-16

  Disclosed are compounds which inhibit the activity of NAMPT, compositions containing the compounds and methods of treating diseases during which NAMPT is expressed.

  揭示了抑制NAMPT活性的化合物，含有这些化合物的组合物以及治疗NAMPT表达期间的疾病的方法。
• PYRIDINE AND PYRAZINE DERIVATIVES - 083
  申请人：Barlaam Bernard Christophe

  公开号：US20090118305A1

  公开（公告）日：2009-05-07

  The invention concerns pyridine and pyrazine derivatives of Formula I or a pharmaceutically-acceptable salt thereof, wherein each of W, G 1 , G 2 , G 3 , G 4 , J, Ring A, n and R 3 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  本发明涉及式I的吡啶和吡嗪衍生物 或其药用可接受的盐，其中W、G 1 、G 2 、G 3 、G 4 、J、环A、n和R 3 各自具有如前文描述中定义的任何含义；它们的制备过程，包含它们的药物组合物以及它们在制造用于治疗细胞增殖性障碍的药物中的应用。