but-2-yne-1,4-diyl dipyridine-3-carboxylate | 86180-60-1

• 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: but-2-yne-1,4-diyl dipyridine-3-carboxylate
• 英文别名: 4-(Pyridine-3-carbonyloxy)but-2-ynyl pyridine-3-carboxylate
• CAS: 86180-60-1
• 化学式: C₁₆H₁₂N₂O₄
• 分子量: 296.282
• InChiKey: VSLVAEVPSBCRDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  but-2-yne-1,4-diyl dipyridine-3-carboxylate 以 甲醇 、 二氯甲烷 为溶剂， 生成 [Ag(3-C5H4NCO2CH2C)2Co2(CO)6(ClO4)]
  参考文献：
  名称：

  Self‐Assembled Transition‐Metal Macrocycles and Two‐Dimensional Coordination Polymers Derived from Flexible C ₂ Co ₂ Cluster‐Bridged Bipyridine Ligands [(4‐C ₅ H ₄ NCO ₂ CH ₂ ) ₂ C ₂ Co ₂ (CO) ₆ ] and [(3‐C ₅ H ₄ NCO ₂ CH ₂ ) ₂ C ₂ Co ₂ (CO) ₆ ]

  摘要：

  AbstractReactions of the tetrahedral C2Co2 cluster‐bridged bipyridine ligand [(4‐C5H4NCO2CH2)2C2Co2(CO)6] (La) with [{M(dppb)(H2O)2}(OTf)2] (M = Pd, Pt; dppb = 1,4‐bis(diphenylphosphanyl)butane; OTf = SO3CF3) and AgX (X = NO3, SbF6) gave cationic metallamacrocycles [{M(dppb)La}2(OTf)4] (1, M = Pd; 2, M = Pt) and [(AgLa)2X2] (3, X = NO3; 4, X = SbF6). Furthermore, the isomeric C2Co2 cluster‐bridged bipyridine ligand [(3‐C5H4NCO2CH2)2C2Co2(CO)6] (Lb) reacted with ZnCl2 and AgX (X = PF6, ClO4) to afford cationic macrocycle [(ZnLbCl2)2] (5) and coordination polymers [(AgLbX)n] (6, X = PF6; 7, X = ClO4), respectively. Whereas flexible ligand La is known, Lb is new and could be prepared by reaction of but‐2‐yne‐1,4‐diyl dipyridine‐3‐carboxylate with [Co2(CO)8]. New self‐assembled products 1–7 and ligand Lb were characterized by elemental analysis and spectroscopy, and 1, 3–7, and Lb were additionally characterized by X‐ray crystallography. In addition, the electrochemistry of Lb and 5 were studied by cyclic voltammetry. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

  DOI：

  10.1002/ejic.200800953
• 作为产物：
  描述：

  氯化烟碱盐酸盐 、 丁炔二醇 、 吡啶 以86%的产率得到
  参考文献：
  名称：

  KUPYATIS, G. K.;EHJXER-LORKA, O. S.;MOZOLIS, V. V., TR. AN LITSSR, 1983, N 1/134, 39-46

  摘要：

  DOI：

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。
• KUPYATIS, G. K.;EHJXER-LORKA, O. S., TR. AN LITSSR, 1984, N 3/142, 30-36
  作者：KUPYATIS, G. K.、EHJXER-LORKA, O. S.

  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.