HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dpc 083
BMS 561390 · BMS561390,BMS 561390 · 2-CHLORO-N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL) · (4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one · (4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE · 2(1H)-Quinazolinone, 6-chloro-4-[(1E)-2-cyclopropylethenyl]-3,4-dihydro-4-(trifluoromethyl)-, (4S)-
Identifiers & Physical Properties
| CAS No. | 214287-99-7 |
|---|---|
| Molecular formula | C14H12ClF3N2O |
| Average molar mass | 316.7 g/mol |
| Monoisotopic mass | 316.0590252 g/mol |
| SMILES | O=C1Nc2ccc(Cl)cc2[C@@](/C=C/C2CC2)(C(F)(F)F)N1 |
| InChIKey | UXDWYQAXEGVSPS-GFUIURDCSA-N |
| PubChem CID | 5327770 |
| ChEMBL | CHEMBL29274 |
| DTXSID | DTXSID401356911 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 41.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 464 |
| FDA UNII | 2498M8N65F |
Applications & Uses
Uses
DPC 083 is a novel anti-HIV drug used in the treatment of the affliction. Used as a non-nucleoside reverse-transcriptase inhibitor, it helps control the replication of genetic material. It is an analog of efavirenz (E425000).