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3-Acetylpyridine hypoxanthine dinucleotide，oxidized form - ≥90%, high purity , CAS No.86-08-8

COA

Grade & Purity:

≥90%

Cas Number: 86-08-8
Molecular Weight: 662.44
MDL number: MFCD00078882
PubChem CID: 123926

In stock

Item Number

A196999

Grouped product items
SKU	Size	Availability	Price	Qty
A196999-25mg	25mg	2	$86.90
A196999-100mg	100mg	1	$267.90

View related series

Glucose Metabolism (1943) Nucleosides and nucleotides (23)

Basic Description

Synonyms	(3-Acetylpyridine)AD \| 3-Acetylpyridine-DPN \| 3 -Acetyl NAD
Specifications & Purity	≥90%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	3-Acetylpyridine hypoxanthine dinucleotide is an analogue of nicotinamide adenine dinucleotide (NAD) which may be used in mechanistic studies of NAD-dependent enzymes and enzymes that act upon NAD itself.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class (5'->5')-dinucleotides

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	(5'->5')-dinucleotides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	(5'->5')-dinucleotides
Alternative Parents	Purine nucleotide sugars Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Pyridine nucleotides Pentose phosphates Glycosylamines Organic pyrophosphates Monosaccharide phosphates 6-aminopurines Aryl alkyl ketones Monoalkyl phosphates Aminopyrimidines and derivatives Pyridinium derivatives N-substituted imidazoles Imidolactams Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	(5'->5')-dinucleotide - Purine nucleotide sugar - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pyridine nucleotide - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Purine - Imidazopyrimidine - Aryl alkyl ketone - Aryl ketone - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Alkyl phosphate - Pyrimidine - Pyridinium - Pyridine - Phosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Imidazole - Azole - Secondary alcohol - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[(2R,3S,4R,5R)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
INCHI	InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
InChIKey	KPVQNXLUPNWQHM-RBEMOOQDSA-N
Smiles	CC(=O)C1=C[N+](=CC=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
Isomeric SMILES	CC(=O)C1=C[N+](=CC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
Molecular Weight	662.44
Reaxy-Rn	25843951
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25843951&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
J2417469	Certificate of Analysis	Sep 12, 2024	A196999
F2404103	Certificate of Analysis	May 17, 2024	A196999
F2404104	Certificate of Analysis	May 17, 2024	A196999
F2404105	Certificate of Analysis	May 17, 2024	A196999
F2404106	Certificate of Analysis	May 17, 2024	A196999

Chemical and Physical Properties

Molecular Weight	662.400 g/mol
XLogP3	-5.200
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	11
Exact Mass	662.114 Da
Monoisotopic Mass	662.114 Da
Topological Polar Surface Area	295.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1120.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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