4-(吡啶-3-羰基氧基)丁基吡啶-3-羧酸酯 | 101952-76-5

• 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
• 中文名称: 4-(吡啶-3-羰基氧基)丁基吡啶-3-羧酸酯
• 英文名称: O,O'-bisnicotinoyl-1,4-butylenediol
• 英文别名: 1,4-bis-nicotinoyloxy-butane；1,4-Bis-nicotinoyloxy-butan；4-(Pyridine-3-carbonyloxy)butyl pyridine-3-carboxylate
• CAS: 101952-76-5
• 化学式: C₁₆H₁₆N₂O₄
• 分子量: 300.314
• InChiKey: PPJDCSQLKYABRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(吡啶-3-羰基氧基)丁基吡啶-3-羧酸酯 、 β-环糊精 以 水 为溶剂， 反应 1.0h， 以31%的产率得到
  参考文献：
  名称：

  Nanoscaled inclusion complexes of β-cyclodextrin with binuclear compounds based on diols containing fragments of selected aromatic monocarboxylic acids

  摘要：

  Stable nanoscaled mono- and dimeric inclusion complexes of beta-cyclodextrin with hosts based on symmetric diols of various length containing fragments of benzoic, nicotinic, or isonicotinic acid were synthesized.

  DOI：

  10.1134/s1070363214040252
• 作为产物：
  描述：

  烟酸 、 1,4-二氯丁烷 在 potassium carbonate 、 四丁基溴化铵 作用下， 以 水 为溶剂， 反应 3.0h， 生成 4-(吡啶-3-羰基氧基)丁基吡啶-3-羧酸酯
  参考文献：
  名称：

  芳族羧酸酯与 1,n-二卤代烷烃直接反应无溶剂合成对称亚甲基二酯

  摘要：

  通过各种芳族羧酸盐与 1, n-二卤代烷烃在无溶剂条件下的直接反应，开发了一种合成对称亚甲基二酯的有效方法。该策略提供了高产率、简便的后处理和纯化，以及一种环境友好的方法来获得具有增加多样性的长链羧酸亚甲酯支架。

  DOI：

  10.1039/d1ra04814g

文献信息

• [EN] NICOTINAMIDE RIBOSIDE ANALOGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF<br/>[FR] ANALOGUES DE NICOTINAMIDE RIBOSIDE, COMPOSITIONS PHARMACEUTIQUES ET UTILISATIONS ASSOCIÉES
  申请人：METRO INT BIOTECH LLC

  公开号：WO2019152416A1

  公开（公告）日：2019-08-08

  Provided herein are compounds of Formula (I) and their salts, and compositions comprising such compounds that are useful for increasing the amount of NAD+ in cells. Also disclosed are methods of using the disclosed compounds and compositions for treating, for example, diseases or disorders related to aging or stress, diabetes, obesity, mitochondrial diseases, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing.

  本文提供了公式（I）的化合物及其盐，以及包含这些化合物的组合物，这些化合物对于增加细胞中NAD+的数量是有用的。还公开了使用所述化合物和组合物治疗与衰老或压力有关的疾病或障碍，糖尿病，肥胖症，线粒体疾病，神经退行性疾病，心血管疾病，血液凝块障碍，炎症，癌症和/或潮红的方法。
• Nicotinamide riboside analogs, pharmaceutical compositions, and uses thereof
  申请人：Metro International Biotech, LLC

  公开号：US11180521B2

  公开（公告）日：2021-11-23

  Provided herein are compounds of Formula (I) and their salts, and compositions comprising such compounds that are useful for increasing the amount of NAD+ in cells. Also disclosed are methods of using the disclosed compounds and compositions for treating, for example, diseases or disorders related to aging or stress, diabetes, obesity, mitochondrial diseases, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing.

  本文提供了式(I)化合物及其盐类，以及包含此类化合物的组合物，它们有助于增加细胞中的NAD+含量。还公开了使用所公开的化合物和组合物治疗与衰老或压力、糖尿病、肥胖、线粒体疾病、神经退行性疾病、心血管疾病、凝血障碍、炎症、癌症和/或潮红等有关的疾病或紊乱的方法。
• Vejdelek et al., Chemicke Listy, 1952, vol. 46, p. 423,426
  作者：Vejdelek et al.

  DOI：——

  日期：——
• NICOTINAMIDE RIBOSIDE ANALOGS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：Metro International Biotech, LLC

  公开号：US20210032280A1

  公开（公告）日：2021-02-04

  Provided herein are compounds of Formula (I) and their salts, and compositions comprising such compounds that are useful for increasing the amount of NAD + in cells. Also disclosed are methods of using the disclosed compounds and compositions for treating, for example, diseases or disorders related to aging or stress, diabetes, obesity, mitochondrial diseases, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing.
• Solvent-free synthesis of symmetric methylene diesters <i>via</i> direct reaction of aromatic carboxylates with 1,<i>n</i>-dihaloalkanes
  作者：Lin Bai、Shenglong Ding、Xiaofang Ma

  DOI：10.1039/d1ra04814g

  日期：——

  An efficient methodology for the synthesis of symmetrical methylene diesters was developed through direct reaction of various aromatic carboxylates with 1,n-dihaloalkanes under solvent-free conditions. This strategy offers a high product yield, facile work-up and purification, and an environmentally friendly approach to obtain long-chain methylene carboxylate scaffolds with increased diversity.

  通过各种芳族羧酸盐与 1, n-二卤代烷烃在无溶剂条件下的直接反应，开发了一种合成对称亚甲基二酯的有效方法。该策略提供了高产率、简便的后处理和纯化，以及一种环境友好的方法来获得具有增加多样性的长链羧酸亚甲酯支架。