1-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-yl]ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-yl]ethanone
• 化学式: C12H16NO5+
• 分子量: 254.26
• InChiKey: YFLLEDOXFRAPQI-DDHJBXDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.9
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF
  申请人：The Queen's University of Belfast

  公开号：US20180134743A1

  公开（公告）日：2018-05-17

  The present disclosure provides methods of making nicotinoyl riboside compounds or derivatives of formula (I): wherein X − , Z 1 , Z 2 , n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 are described herein, reduced analogs thereof, modified derivatives thereof, phosphorylated analogs thereof, and adenylyl dinucleotide conjugates thereof, or salts, solvates, or prodrugs thereof; and novel crystalline forms thereof.

  本公开提供制备式(I)的烟酰胺核苷化合物或其衍生物的方法：其中X−、Z1、Z2、n、R1、R2、R3、R4、R5、R6、R7和R8如本文所述，其还包括还原的类似物、修饰的衍生物、磷酸化的类似物和腺苷酸二核苷酸共轭物，或其盐、溶剂化合物或前药；以及其新的晶体形式。
• Methods of Preparing Nicotinamide Riboside and Derivatives Thereof
  申请人：The Queen's University of Belfast

  公开号：US20180186824A1

  公开（公告）日：2018-07-05

  The invention relates to methods of preparing nicotinamide riboside and derivatives thereof. In an aspect, the invention relates to a method of preparing a compound of formula (I), wherein n is 0 or 1; m is 0 or 1; Y is O or S; R 1 is selected from H, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted primary or secondary amino, and substituted or unsubstituted azido; R 2 -R 5 , which may be the same or different, are each independently selected from H, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, and substituted or unsubstituted aryl; and X − is an anion, selected from an anion of a substituted or unsubstituted carboxylic acid, a halide, a substituted or unsubstituted sulfonate, a substituted or unsubstituted phosphate, a substituted or unsubstituted sulfate, a substituted or unsubstituted carbonate, and a substituted or unsubstituted carbamate.