HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Acetylpyridin-adenin-dinucleotid
APAD · NSC 20275 · 3-ACETYLPYRIDINE NAD · 3-Acetylpyridine adenine · acetylpyridineadeninedinucleotide · acetyldiphosphopyridine nucleotide · 3-Acetylpyridine adenine dinucleotide · 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, REDUCED FORM
Identifikatoren & physikalische Daten
| CAS No. | 86-08-8 |
|---|---|
| Summenformel | C22H29N6O14P2+ |
| Durchschnittliche Molmasse | 663,4 g/mol |
| Monoisotopische Masse | 663,12169862 g/mol |
| 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 |
| PubChem CID | 2011 |
| Lokaler Name | 3-Acetylpyridin-adenin-dinucleotid |
Chemische & physikalische Eigenschaften
| XLogP | -5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 292 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 18 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 44 |
| Formalladung | 1 |
| Komplexität | 1.130 |
| Lagerbedingungen | −20°C |
| Löslichkeit | PBS (pH 7.2): 10 mg/mlwater: 50mg/mL, clear, colorless to faintly yellow |
| Aggregatzustand | A crystalline solid |
| Farbe | White to light yellow |
| Biologische Quelle | Porcine brain |
| 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 & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2934999090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
3-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.