HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(2-(4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)diazenyl)-1,3-benzenedisulfonic acid
PPADS · C13745 · PPADS tetrasodium sa · Ppads tetrasodium salt · PPADS Tetrasodium Salt（149017-66-3） · PPADS, P2 purinergic receptor antagonist · pyridoxalphosphate-6-azophenyl-2’,4’-disulfonicacid · 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid
Identifiers & Physical Properties
| CAS No. | 149017-66-3 |
|---|---|
| Molecular formula | C14H14N3O12PS2 |
| Average molar mass | 511.4 g/mol |
| SMILES | Cc1nc(N=Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O |
| InChIKey | PNFZSRRRZNXSMF-UHFFFAOYSA-N |
| PubChem CID | 4881 |
| ChEMBL | CHEMBL1437958 |
| ChEBI | CHEBI:34941 |
| DTXSID | DTXSID401019090 |
Chemical & Physical Properties
| XLogP | -1.5 |
|---|---|
| Topological polar surface area | 267 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 8 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 956 |
| Storage conditions | −20°C |
| Solubility | H2O: >10 mg/mL |
| Physical state | solid |
| Color | red to orange |
| FDA UNII | L6K2LJ9BJK |
| Safety statements (S) | 22-24/25 |
| Water hazard class (WGK) | 3 |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Safety statements (S) | 22-24/25 |
Applications & Uses
Uses
PPADS is a P2 receptor antagonist, with IC50s of 68 nM (P2X1) and 214 nM (P2X3). PPADS acts as an ATP (nucleotide) mimetic and competes with ATP for its binding site on P2 receptors. PPADS is also a reversible competitive antagonist of the NAADP receptor. PPADS reverses nociceptive hypersensitivity and reduces the increased NO/NOS system and IL-1β in both peripheral and central steps of nervous system[1][2][3].