Nadid
Nadide
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Grundinformationen
- CAS
53-84-9- Standard-SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1- InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N- Summenformel
- C21H27N7O14P2
- Durchschnittliche Molmasse
- 663,4 g/mol
- Monoisotopische Masse
- 663,10912256
Namen und Bezeichner
- Bevorzugter Name
- Nadide
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
- Lokaler Name
- Nadid
- Englischer Name
- β-Nicotinamide adenine dinucleotide
- Summenformel
- C21H27N7O14P2
- Molmasse
- 663.43
Namen und Synonyme
nadide53-84-9coenzyme Ibeta-NADCodehydrogenase ICodehydrase Inicotinamide adenine dinucleotidediphosphopyridine nucleotideCozymase Ibeta-Diphosphopyridine nucleotideEnzoprideCOZYMASE
Weitere Namen anzeigen
NADβ-NADbeta-Nicotinamide adenine dinucleotideDPNB-NADβ-nicotinamide adenine dinucleotide hydratecozymaseibeta-diphosphopyridine
NadidumNicotinamide-adenine dinucleotidecodehydrogenaseNadidaPyridine, nucleotide diphosphateAdenine-nicotinamide dinucleotideNicotineamide adenine dinucleotideNadidum [INN-Latin]
Datenbank-Bezeichner
- CAS
53-84-9、64417-72-7- PubChem CID
- 5892
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -6
- Polarare Oberfläche (TPSA)
- 321 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 1.120
Experimentelle und physikochemische Eigenschaften
Solubility752.5 mg/mL
Melting Point140.0 - 142.0 °C
Physical Description
Highly hygroscopic white solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
222.7 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；230.8 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；223.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；227.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
226.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
227 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-142 °C (decomp)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.1% (114 of 115) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 114 of 115 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 114 of 115 reports by companies.；There is 1 notification provided by 1 of 115 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt
Status: Active Update: 11-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10862
Adenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Regulatorische Informationen
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsAdrenal Gland；Brain；Epidermis；Fibroblasts；Liver；Placenta；Platelet；Prostate；Skeletal Muscle
Cellular LocationsEndoplasmic reticulum；Extracellular；Mitochondria；Nucleus；Peroxisome
Metabolite Pathways
11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；17-Beta Hydroxysteroid Dehydrogenase III Deficiency；2-aminoadipic 2-oxoadipic aciduria；2-Hydroxyglutric Aciduria (D And L Form)；2-ketoglutarate dehydrogenase complex deficiency；2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency；21-hydroxylase deficiency (CYP21)；27-Hydroxylase Deficiency；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Total 46223 pathways, visit the HMDB page for details
Verwendung und Herstellung
Uses
A biologically active form of nicotinic acid; [Merck Index] A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed) [ChemIDplus]
General Manufacturing InformationAdenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: ACTIVE
Anwendungen
Beschreibungβ-Nicotinamide adenine dinucleotide (NAD+) plays a major role in metabolism as a cofactor and mobile electron acceptor. NAD+ is a required oxidizing cosubstrate for many enzymes. It is reduced to NADH (Cat# N-035) which carries electrons to the electron transport chain for subsequent oxidative phorphorylation and ATP production. NAD+ is capable of donating ADP-ribose moieties to a protein, producing nicotinamide in the process. Sirtuin enzymes use NAD+ as a substrate to deacetylate proteins and direct activity between the nucleus and mitochondria. NAD+ is regenerated by fermentation and by oxidative phosphorylation.
Zugehörige Reaktionen
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