HuagongsheHuagongshe Chemistry Print Report · For research reference only
MK886 sodium
536 · MK-886 · L-663 · MK-886 Na Salt · MK 886 SODIUM SALT · L 663536 SodiuM Salt · mk-886 sodium hydrate · MK-886 sodium salt hydrate
Identifiers & Physical Properties
| CAS No. | 118427-55-7 |
|---|---|
| Molecular formula | C27H33ClNNaO2S |
| Average molar mass | 494.1 g/mol |
| Monoisotopic mass | 493.18182226 g/mol |
| SMILES | CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1.[Na+] |
| InChIKey | CBNCIYNCWVGEKJ-UHFFFAOYSA-M |
| PubChem CID | 4519262 |
| ChEMBL | CHEMBL416657 |
| DTXSID | DTXSID4040551 |
Chemical & Physical Properties
| Topological polar surface area | 70.4 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 8 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 645 |
| Melting point | 275-278°C |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| Stability | Hygroscopic |
| FDA UNII | PNR27O326B |
Applications & Uses
Uses
MK-886 is a leukotriene inhibitor. MK-886 and Celecoxib have an inhibitory effect on the growth of pancreatic cancer cell line SW1990 and angiogenesis.