HuagongsheHuagongshe Chemistry Print Report · For research reference only
Nvs-pak1-1
NVS-PAK1-1 · NVS-PAK1-1 ，S8264 · NVS-PAK11Chemicalbook · NVS-PAK1-1 >=98% (HPLC) · NVS-PAK1-1, 10 mM in DMSO · NVS-PAK1-1, PAK1 inhibitor · NVS-PAK11 · NVS-PAK1 1
Identifiers & Physical Properties
| CAS No. | 1783816-74-9 |
|---|---|
| Molecular formula | C23H25ClF3N5O |
| Average molar mass | 479.9 g/mol |
| Monoisotopic mass | 479.1699726 g/mol |
| SMILES | CC(C)NC(=O)N1CC[C@H](N=C2Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1 |
| InChIKey | OINGHOPGNMYCAB-INIZCTEOSA-N |
| PubChem CID | 137125241 |
| ChEMBL | CHEMBL3609372 |
| DTXSID | DTXSID301352178 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 60 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 726 |
| Boiling point | 697.8±55.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | DMF: 50 mg/mlDMF:PBS (pH 7.2) (1:1): 0.5 mg/mlDMSO: 50 mg/mlEthanol: 20 mg/ml |
| Physical state | powder |
| pKa (acidity coefficient) | 14.02±0.40(Predicted) |
| Color | white to beige |
| InChIKey | OINGHOPGNMYCAB-INIZCTEOSA-N |
| SMILES | N1(C(NC(C)C)=O)CC[C@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C3=CC=C(Cl)C=C32)C1 |
| UNSPSC Code | 41106609 |
| NACRES | NA.77 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313 |
Applications & Uses
Uses
NVS PAK1 1 is one of potent and selective allosteric PAK1 inhibitors.