4-哌啶-1-丁基-1-胺 | 74247-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 4-哌啶-1-丁基-1-胺
• 英文名称: 4-piperidin-1-yl-butylamine
• 英文别名: 4-(piperidin-1-yl)butan-1-amine；N-(4'-aminobutyl)piperidine；4-piperidin-1-ylbutan-1-amine
• CAS: 74247-30-6
• 化学式: C₉H₂₀N₂
• mdl: MFCD12128983
• 分子量: 156.271
• InChiKey: ACOXURKIHJSMAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  4
• 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

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-哌啶-1-丁基-1-胺 在 copper(ll) sulfate pentahydrate 、 triflic azide 、 potassium carbonate 、 sodium ascorbate 作用下， 以 乙醇 、 水 、 甲苯 、 叔丁醇 为溶剂， 生成 5-(1-(4-(piperidin-1-yl)butyl)-1H-1,2,3-triazol-4-yl)-1H-indole
  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：

  1-哌啶丁腈 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 4-哌啶-1-丁基-1-胺
  参考文献：
  名称：

  Guanidines: Synthesis of Novel Histamine H3R Antagonists with Additional Breast Anticancer Activity and Cholinesterases Inhibitory Effect

  摘要：

  本研究考察了新型胍类化合物的特性，它们被设计合成为组胺 H3R 拮抗剂/反激动剂，并具有额外的药理靶点。我们评估了它们在抑制 MDA-MB-231 和 MCF-7 乳腺癌细胞活力以及抑制 AChE/BuChE 这两个靶点上的潜力。ADS10310 对乳腺癌细胞具有微摩尔细胞毒性，对 hH3R 具有纳摩尔亲和力，可能是开发癌症治疗替代方法的一个有前途的靶点。一些新合成的化合物在个位数微摩尔浓度范围内对 BuChE 有中度抑制作用。具有额外 AChE/BuChE 抑制作用的 H3R 拮抗剂可能会改善阿尔茨海默氏症患者的认知功能。对 ADS10310 的几个体外 ADME-Tox 参数进行了评估，结果表明它是一种代谢稳定的化合物，具有较弱的肝毒性活性，可以接受进一步研究。

  DOI：

  10.3390/ph16050675

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。
• [EN] QUINAZOLINE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINE
  申请人：ASTRAZENECA AB

  公开号：WO2006040520A1

  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 X1, p, R1, q, R2, R3, R4, R5, Ring A, r and R6 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 or in the treatment of disease states associated with angiogenesis and/or vascular permeability.

  这项发明涉及式(I)的喹唑啉衍生物或其药用盐、溶剂化合物或前药，其中X1、p、R1、q、R2、R3、R4、R5、环A、r和R6中的每一个在描述中已定义的含义中具有任何含义；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或与血管生成和/或血管通透性相关的疾病状态的药物的用途。
• 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。
• ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS
  申请人：Ghiron Chiara

  公开号：US20100016343A1

  公开（公告）日：2010-01-21

  The present invention provides compounds and compositions, methods of making them, and methods of using them to modulate α7 nicotinic acetylcholine receptors and/or to treat any of a variety of disorders, diseases, and conditions. Provided compounds can affect, among other things, neurological, psychiatric and/or inflammatory system.

  本发明提供了化合物和组合物，制备它们的方法，以及利用它们调节α7烟碱乙酰胆碱受体和/或治疗各种疾病、疾病和症状的方法。提供的化合物可以影响神经系统、精神病和/或炎症系统等方面。
• Quinazoline derivatives
  申请人：——

  公开号：US20040034046A1

  公开（公告）日：2004-02-19

  The invention concerns quinazoline derivatives of Formula (I) wherein each of m, R 1 , n, R 2 and R 3 have 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 as an anti-invasive agent in the containment and/or treatment of solid tumour disease.

  这项发明涉及式（I）的喹唑啉衍生物，其中m、R1、n、R2和R3中的每一个具有描述中定义的任意含义；它们的制备方法；含有它们的药物组合物；以及它们在制造用作抗侵袭剂的药物中用于抑制和/或治疗实体肿瘤疾病的用途。