AcPyAD
APAD · NSC 20275 · 3-ACETYLPYRIDINE NAD · 3-Acetylpyridine adenine · acetylpyridineadeninedinucleotide · acetyldiphosphopyridine nucleotide · 3-Acetylpyridine adenine dinucleotide · 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, REDUCED FORM
Identifiers & Physical Properties
| CAS No. | 86-08-8 |
|---|---|
| Molecular formula | C22H29N6O14P2+ |
| Average molar mass | 663.4 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | -5.1 |
|---|---|
| Topological polar surface area | 292 |
| Hydrogen bond donors | 7 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 11 |
| Heavy atoms | 44 |
| Formal charge | 1 |
| Complexity | 1,130 |
| Storage conditions | −20°C |
| Solubility | PBS (pH 7.2): 10 mg/mlwater: 50mg/mL, clear, colorless to faintly yellow |
| Physical state | A crystalline solid |
| Color | White to light yellow |
| Biological source | 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| |
| UNSPSC Code | 41106305 |
| NACRES | NA.51 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P271-P261-P280 |
| Target organs | Respiratory system |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Customs code | 2934999090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Customs code | 2934999090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P271-P261-P280 |
Applications & Uses
Description
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.
Uses
3-Acetylpyridine adenine dinucleotide, 90% is an analog of nicotinamide adenine dinucleotide (NAD). 33-Acetylpyridine adenine dinucleotide, 90% collaboratively inhibits Lactate Dehydrogenase (LDH) with bisulfite[1][2].