6-trimethylammonio-caproic acid | 68409-45-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 6-trimethylammonio-caproic acid
• 英文别名: 6-Dimethylamino-capronsaeure-methohydroxid；Trimethyl-(5-carboxy-pentyl)-ammonium；6-Trimethylammonio-capronsaeure；ε-Dimethylamino-n-capronsaeure-hydroxymethylat；Trimethyl-(ε-carboxy-pentyl)-ammoniumhydroxyd；(5-Carboxy-pentyl)-trimethyl-ammonium；1-Pentanaminium, 5-carboxy-N,N,N-trimethyl-；5-carboxypentyl(trimethyl)azanium
• CAS: 68409-45-0
• 化学式: C₉H₂₀NO₂
• 分子量: 174.263
• InChiKey: BGKJBMGXIZZWFR-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-N-[1-(piperazine-1-carbonyl)-cyclopentyl]-benzenesulfonamide 、 6-trimethylammonio-caproic acid 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 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 [6-[4-[1-[[2,4-Dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]cyclopentanecarbonyl]piperazin-1-yl]-6-oxohexyl]-trimethylazanium
  参考文献：
  名称：

  Design and Synthesis of Novel Sulfonamide-Containing Bradykinin hB₂ Receptor Antagonists. 2. Synthesis and Structure−Activity Relationships of α,α-Cycloalkylglycine Sulfonamides

  摘要：

  Recently we reported on the design and synthesis of a novel class of selective nonpeptide bradykinin (BK) B-2 receptor antagonists (J. Med. Chem. 2006, 3602-3613). This work led to the discovery of MEN 15442, an antagonist with subnanomolar affinity for the human B2 receptor (hB2R), which also displayed significant and prolonged activity in vivo (for up to 210 min) against BK-induced bronchoconstriction in the guinea-pig at a dose of 300 nmol/kg (it), while demonstrating only a slight effect on BK-induced hypotension. Here we describe the further optimization of this series of compounds aimed at maximizing the effect on bronchoconstriction and minimizing the effect on hypotension, with a view to developing topically delivered drugs for airway diseases. The work led to the discovery of MEN 16132, a compound which, after intratracheal or aerosol administration, inhibited, in a dose-dependent manner, BK-induced bronchoconstricton in the airways, while showing minimal systemic activity. This compound was selected as a preclinical candidate for the topical treatment of airway diseases involving kinin B2 receptor stimulation.

  DOI：

  10.1021/jm061143k
• 作为产物：
  描述：

  6-氨基己酸 、 碘甲烷 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 8.0h， 生成 6-trimethylammonio-caproic acid
  参考文献：
  名称：

  一组用于氨基/酚羟基标记的同位素标记试剂及其合成方法

  摘要：

  本发明涉及一组用于氨基/酚羟基标记的同位素标记试剂及其合成方法。合成过程中以同时带有氨基和羧基的试剂(如6‐氨基己酸的同系物)作为原料，经与含同位素D或13C取代的碘甲烷或甲醛反应，将氨基转化成季铵，并实现将碘甲烷或甲醛上的同位素引入到季铵的甲基上。通过选用不同D取代或13C取代的碘甲烷和甲醛，通过调整反应路线，可得到一系列具有不同同位素取代的产物。将该系列产物进一步与N‐羟基琥珀酰亚胺反应，使其羧基与N‐羟基琥珀酰亚胺的羟基反应形成酯，即得到一组可与氨基或酚羟基高效反应的同位素标记试剂。

  公开号：

  CN107556268A

文献信息

• Polyphosphonate derivatives for toothpaste compositions
  申请人：Denizot Benoit

  公开号：US20050153938A1

  公开（公告）日：2005-07-14

  The invention relates to a medicament containing the polyphosphonate compound of general formula (I) as an active ingredient.

  本发明涉及一种药物，其活性成分是通式（I）的聚膦酸盐化合物。
• Polymer/clay nanocomposite comprising a functionalized polymer or oligomer and a process for preparing same
  申请人：Eastman Chemical Company

  公开号：US20020137834A1

  公开（公告）日：2002-09-26

  The invention is directed to a nanocomposite material and products produced from the nanocomposite material. This invention is also directed to a process for preparing a polymer-clay nanocomposite comprising the steps of (i) forming a concentrate comprising a layered clay material with a matrix polymer-compatible functionalized oligomer or polymer, and (ii) melt compounding the concentrate with a melt-processable matrix polymer to produce a polymer-clay nanocomposite.

  本发明涉及一种纳米复合材料和用该纳米复合材料生产的产品。本发明还涉及一种制备聚合物-粘土纳米复合材料的工艺，包括以下步骤：(i) 形成由层状粘土材料与基质聚合物相容的官能化低聚物或聚合物组成的浓缩物；(ii) 将浓缩物与可熔融加工的基质聚合物熔融复合，制得聚合物-粘土纳米复合材料。
• Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. Synthesis and structure-relationships of α,α-tetrahydropyranylglycine
  作者：Christopher I. Fincham、Alessandro Bressan、Piero D’Andrea、Alessandro Ettorre、Sandro Giuliani、Sandro Mauro、Stefania Meini、Marielle Paris、Laura Quartara、Cristina Rossi、Antonella Squarcia、Claudio Valenti、Fattori Daniela、Carlo Alberto Maggi

  DOI：10.1016/j.bmc.2012.01.036

  日期：2012.3

  A series of alpha,alpha-cycloalkylglycine sulfonamide compounds of general formula 1 has previously been identified by our group as selective human B-2(hB(2)) receptor antagonists. Here we report the in vitro and in vivo BK antagonist activity of a further evolution of the series, consisting in compounds of the general formula 2, containing either an alkyl piperazine or a 4-alkyl piperidine ring bearing various positively charged groups (R'). These studies unexpectedly revealed quite a flat nanomolar/subnanomolar SAR for the binding affinity, while differences were seen in the in vitro functional activities. We propose that variations in the residence time may explain these results. (C) 2012 Elsevier Ltd. All rights reserved.
• A POLYMER/CLAY NANOCOMPOSITE COMPRISING A FUNCTIONALIZED POLYMER OR OLIGOMER AND A PROCESS FOR PREPARING SAME
  申请人：EASTMAN CHEMICAL COMPANY

  公开号：EP1141136A1

  公开（公告）日：2001-10-10
• US6384121B1
  申请人：——

  公开号：US6384121B1

  公开（公告）日：2002-05-07