β-Nicotinamide adenine dinucleotide phosphate - Moligand™, ≥90% , CAS No.53-59-8

CAS: 53-59-8 Cat. No.: N303921 Peso molecular: 743.41 Número EC: 200-178-1

GRADE & PURITY Moligand™, ≥90%

Synonyms

Coenzyme II | NADP | TPN | BRN 3885115 | nicotinamide adenine dinucleotide phosphate | SCHEMBL7869 | TPN-ox | nadp nicotinamide-adenine-dinucleotide phosphate | 944A1E1D-E8B9-42AF-B61D-7C4242AB099A | Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Coenzyme II | NADP | TPN | BRN 3885115 | nicotinamide adenine dinucleotide phosphate | SCHEMBL7869 | TPN-ox | nadp nicotinamide-adenine-dinucleotide phosphate | 944A1E1D-E8B9-42AF-B61D-7C4242AB099A | Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen

Especificaciones y pureza

Moligand™, ≥90%

Mecanismos bioquímicos y fisiológicos

β-nicotinamide adenine dinucleotide 2 ′-phosphate (NADP+) and β-nicotinamide adenine dinucleotide 2 ′-phosphate reduction (NADPH) form a coenzyme redox pair (NADP+:NADPH), which participates in a wide range of enzyme-catalyzed redox reactions. NADP+/NADPH

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488179953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179953
• Sonrisas canónicas: 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
• IUPAC Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• InChIKey: XJLXINKUBYWONI-NNYOXOHSSA-N
• INCHI: 1S/C21H28N7O17P3/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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
• Isómeros 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
• Peso molecular: 743.41
• Reaxy-Rn: 25351893
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25351893&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: (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 Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Nicotinamides Monoalkyl phosphates Aminopyrimidines and derivatives Imidolactams Pyridinium derivatives N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Secondary alcohols Oxacyclic compounds Azacyclic compounds Carboximidic acids Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (5'->5')-dinucleotide - Purine nucleotide sugar - Purine ribonucleoside 2',5'-bisphosphate - Purine ribonucleoside bisphosphate - Purine ribonucleoside diphosphate - Nicotinamide-nucleotide - Pyridine nucleotide - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Nicotinamide - Purine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Alkyl phosphate - Phosphoric acid ester - Pyridinium - Pyridine - Imidolactam - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Azole - Secondary alcohol - Carboximidic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carboximidic acid - Primary amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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: NADP

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

Objetivos asociados (humanos)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHAT Tchem Choline acetylase (63 Activities)

Discover Target: CHAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Fdft1 Squalene synthetase (34 Activities)

Discover Target: Fdft1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

panE Ketopantoate reductase (28 Activities)

Discover Target: panE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water and methanol, slightly soluble in ethanol, insoluble in ether
• Sensibilidad: heat sensitive
• Peso molecular: 743.400 g/mol
• XLogP3: -7.100
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 13
• Exact Mass: 743.075 Da
• Monoisotopic Mass: 743.075 Da
• Topological Polar Surface Area: 368.000 Ų
• Heavy Atom Count: 48
• 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: 1

Referencias

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