trigonelline | 7164-65-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trigonelline
• 英文别名: 1-methylpyridinium-3-carboxylate；3-carboxy-1-methyl-pyridinium；1-Methyl-pyridinium-3-carbonsaeure；1-Methylpyridinium-3-carbonsaeure；N-Methyl-pyridincarbonsaeure-3；1-Methyl-3-carboxy-pyridinium；N-Methylnicotinic acid；1-methylpyridin-1-ium-3-carboxylic acid
• CAS: 7164-65-0
• 化学式: C₇H₈NO₂
• 分子量: 138.146
• InChiKey: WWNNZCOKKKDOPX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  41.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  烟酸甲酯 在 Dowex 1 (OH(-) form) X₈ 作用下， 以 苯 为溶剂， 反应 3.0h， 生成 trigonelline
  参考文献：
  名称：

  Induction of cell arrest in G2: structural specificity of trigonelline

  摘要：

  DOI：

  10.1016/s0031-9422(00)80430-6

文献信息

• Use of Quaternary Pyridinium Compounds for Vasoprotection and/or Hepatoprotection
  申请人：MARCINEK Andrzej

  公开号：US20080221172A1

  公开（公告）日：2008-09-11

  The invention relates to a method for the treatment or prevention of diseases or conditions associated with vascular endothelium dysfunction or liver injury comprising the administration to a patient in a need of such treatment or prevention of a therapeutically or prophylactically effective amount of a compound selected from the group consisting of: wherein R represents hydrogen atom, CH 3 , OH, pyridyl (C 5 H 4 N), 1-methylpyridyl (C 5 H 4 N—CH 3 ) or pyridyl substituted with hydroxy group ((OH)C 5 H 3 N), and X represents a physiologically acceptable counterion.

  该发明涉及一种治疗或预防与血管内皮功能障碍或肝损伤相关的疾病或病况的方法，包括向需要此类治疗或预防的患者施用所述治疗或预防有效量的化合物，所述化合物选自以下组合：其中R代表氢原子、CH3、OH、吡啶基（C5H4N）、1-甲基吡啶基（C5H4N-CH3）或带有羟基取代的吡啶基（（OH）C5H3N），X代表生理上可接受的对离子。
• METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND PREVENTION
  申请人：Hofmann Thomas

  公开号：US20110288014A1

  公开（公告）日：2011-11-24

  The present invention relates to methods and compositions for preventing or treating diabetes. The invention in particular discloses compounds according to formula (I) for use in the prevention and treatment of type II or I diabetes.

  本发明涉及用于预防或治疗糖尿病的方法和组合物。该发明特别公开了根据式(I)的化合物，用于预防和治疗II型或I型糖尿病。
• Brain-specific drug delivery
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0221588A2

  公开（公告）日：1987-05-13

  The invention provides compounds adapted for the site-specific/sustained delivery of a centrally acting drug species to the brain having the formula [D-DHC] and the non-toxic pharmaceutically acceptable salts thereof, wherein [D] is a centrally acting drug species which is an antiviral agent, an antiinflammatory steroid, a narcotic or an estrogen and which contains at least two reactive hydroxyl functional groups, and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine=pyridinium salt redox carrier comprising at least one dihydropyridine ring system of the formula wherein R is lower alkyl or benzyl and the dotted line indicates the presence of a double bond in either the 2 or 3 position of the dihydropyridine ring, a ring carbon atom of each dihydropyridine ring system being connected via a bridging group to a reactive hydroxyl functional group in the centrally acting drug species. The corresponding quaternary derivatives are also described.

  本发明提供了适用于向大脑定点/持续递送中枢作用药物的化合物，其具有式[D-DHC]及其无毒的药学上可接受的盐，其中[D]是中枢作用药物，它是一种抗病毒剂、一种抗炎类固醇、一种麻醉剂或一种雌激素，并含有至少两个活性羟基官能团，而[DHC]是还原的、可生物氧化的、可透过血脑屏障的脂质形式的二氢吡咯、DHC]是二氢吡啶=吡啶鎓盐氧化还原载体的还原型、可生物氧化、可穿透血脑屏障的类脂形式，该载体包含至少一个式中的二氢吡啶环系统。 其中 R 为低级烷基或苄基，虚线表示在二氢吡啶环的 2 位或 3 位存在双键，每个二氢吡啶环系统的环碳原子通过桥基与中心作用药物种类中的活性羟基官能团相连。还描述了相应的季衍生物。
• GEL POLYMER ELECTROLYTE COMPOSITION
  申请人：Kuraray Co., Ltd.

  公开号：EP2524932A1

  公开（公告）日：2012-11-21

  An objective of the present invention is to provide a gel polymer electrolyte composition which exhibits excellent electrolyte retaining ability, excellent ion conductivity, higher mechanical strength and excellent shape preservation, which does not require an extra step for crosslinking, and which can provide a secondary battery with excellent cycle properties and a vinyl acetal polymer used for a gel polymer electrolyte composition. There are provided a vinyl acetal polymer for a gel polymer electrolyte composition, wherein the vinyl acetal polymer has a cationic functional group, as well as a gel polymer electrolyte composition comprising the vinyl acetal polymer and an electrolyte solution, wherein a weight ratio of the vinyl acetal polymer to the electrolyte solution is 0.5:99.5 to 9:91.

  本发明的目的是提供一种凝胶聚合物电解质组合物，该组合物具有优异的电解质保持能力、优异的离子传导性、较高的机械强度和优异的形状保持性，不需要额外的交联步骤，可提供具有优异循环性能的二次电池，以及一种用于凝胶聚合物电解质组合物的乙缩醛聚合物。提供了一种用于凝胶聚合物电解质组合物的乙烯基乙缩醛聚合物，其中乙烯基乙缩醛聚合物具有阳离子官能团，以及一种凝胶聚合物电解质组合物，该组合物由乙烯基乙缩醛聚合物和电解质溶液组成，其中乙烯基乙缩醛聚合物与电解质溶液的重量比为 0.5:99.5 至 9:91。
• <SUP2/>? <SUB2/>?0? ?FERTILISER COMPOSITION INCLUDING ELEMENTAL SULFUR AND TRIGONELLINE AS AN ENHANCER OF MICROBIOLOGICAL OXIDATION OF S
  申请人：Fertinagro Biotech, S.L.

  公开号：EP3970493A1

  公开（公告）日：2022-03-23

  The present invention provides a fertiliser composition comprising trigonelline as an enhancer of the microbiological oxidation of elemental sulphur to sulphate ion (S0 to SO42-) where trigonelline increases SO42- levels in agricultural soils.

  本发明提供了一种含有三尖杉碱的肥料组合物，可促进微生物将元素硫氧化成硫酸根离子（S0-SO42-），其中三尖杉碱可增加农业土壤中的 SO42-含量。

表征谱图