Grundinformationen
- CAS
86-08-8- Standard-SMILES
CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1- InChIKey
KPVQNXLUPNWQHM-UHFFFAOYSA-O- Summenformel
- C22H29N6O14P2+
- Durchschnittliche Molmasse
- 663,4 g/mol
- Monoisotopische Masse
- 663,12169862
Überblick
See also: Acetylpyridine adenine dinucleotide (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- AcPyAD
- IUPAC
- [[5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Lokaler Name
- 3-Acetylpyridin-adenin-dinucleotid
- Englischer Name
- 3-Acetylpyridine adenine dinucleotide
- Summenformel
- C22H28N6O14P2
- Molmasse
- 662.44
Namen und Synonyme
AcPyAD3-Acetylpyridine NAD3-Acetyl NADAcetylpyridine-adenine dinucleotide3-Acetylpyridineadenine dinucleotide3-Acetylpyridine-adenine dinucleotideNicotinamide acetylpyridine dinucleotideSCHEMBL31290290KPVQNXLUPNWQHM-UHFFFAOYSA-ODPN, 3-acetyl pyridine derivativeNSC20275NSC-20275
Weitere Namen anzeigen
APADNSC 202753-Acetylpyridine adenineacetylpyridineadeninedinucleotideacetyldiphosphopyridine nucleotide3-Acetylpyridine adenine dinucleotide3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, REDUCED FORM3-Acetylpyridine adenine dinucleotide, oxidised form3-Acetylpyridine hypoxanthine dinucleotide，oxidized form
Acetyl-3-pyridine adenine dinucleotide3-Acetylpyridine diphosphopyridine nucleotide
Datenbank-Bezeichner
- CAS
86-08-8- PubChem CID
- 2011
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,1
- Polarare Oberfläche (TPSA)
- 292 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 18
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 44
- Formalladung
- 1
- Komplexität
- 1.130
Physikochemische Eigenschaften
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- PBS (pH 7.2): 10 mg/ml
- Aggregatzustand
- A crystalline solid
- Farbe
- White to light yellow
- Biologische Quelle
- Porcine brain
- Wasserlöslichkeit
- 50 mg/mL, · water: 50mg/mL, clear, colorless to faintly yellow
- InChIKey
- KPVQNXLUPNWQHM-MFRNWTRNNA-N
- SMILES
- O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP([O-])(=O)OC[C@@H]2[C@H]([C@@H](O)[C@H]([N+]3=CC=CC(C(=O)C)=C3)O2)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O |&1:1,2,3,15,16,17,19,32,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Beschreibung3-Acetylpyridine NAD (APAD) is an analog of NAD+ (free acid) (nicotinamide adenine dinucleotide; ), a signaling molecule and cofactor or substrate for many enzymes. APAD has been used to study the mechanisms of oxidative phosphorylation. It can be reduced by transdehydrogenase from NADH (sodium salt) . It can be reduced more efficiently and is more stable than NAD+; thus, it is useful as a substitute.
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