Triphosphopyridine nucleotide sodium salt hydrate - ≥98%(HPLC) , CAS No.698999-85-8

CAS: 698999-85-8 Cat. No.: T140491 Molecular Weight: 765.39 (anhydrous basis) EC Number: 621-861-4 PubChem CID: 90475149

GRADE & PURITY ≥98%(HPLC)

Synonyms

β-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | Triphosphopyridine nucleotide sodium salt hydrate | β-NADP

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Acts as an electron acceptor commonly used by cells. This is used in vitro to study NADP and how it accepts electrons, among other applications.
An endogenous electron acceptor and the common form of NADP

Application：

β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).

Specifications

Synonyms

β-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate | Triphosphopyridine nucleotide sodium salt hydrate | β-NADP

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772594
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772594
• Canonical Smiles: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N.O.[Na+]
• IUPAC Name: sodium;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydrate
• InChIKey: CYQLUFJYVTUUFN-WUEGHLCSSA-M
• INCHI: 1S/C21H28N7O17P3.Na.H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;1H2/q;+1;/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1
• Isomeric SMILES: C1=CC(=C[N+](=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)OP(=O)(O)O)O)O)O)C(=O)N.O.[Na+]
• WGK Germany: 3
• Alternate CAS: 1184-16-3
• PubChem CID: 90475149
• Molecular Weight: 765.39 (anhydrous basis)

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 2',5'-bisphosphates Nicotinamide nucleotides Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Organic pyrophosphates Nicotinamides Aminopyrimidines and derivatives Monoalkyl phosphates Pyridinium derivatives Imidolactams N-substituted imidazoles Oxolanes Heteroaromatic compounds Vinylogous amides Secondary alcohols Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Organopnictogen compounds Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (5'->5')-dinucleotide - Purine nucleotide sugar - Purine ribonucleoside diphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside 2',5'-bisphosphate - Nicotinamide-nucleotide - Pyridine nucleotide - Pentose-5-phosphate - Pentose phosphate - N-glycosyl compound - Glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pyridine carboxylic acid or derivatives - Imidazopyrimidine - Purine - Nicotinamide - Monoalkyl phosphate - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Pyrimidine - Pyridine - Pyridinium - Oxolane - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic sodium salt - 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

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in water (50 mg/ml).
• Sensitivity: Light and heat sensitive
• Melt Point(°C): 175-178°C
• Molecular Weight: 783.400 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 13
• Exact Mass: 783.068 Da
• Monoisotopic Mass: 783.068 Da
• Topological Polar Surface Area: 371.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1290.000
• 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: 3

XLogP3