Basic information
- CAS
214287-99-7- Standard SMILES
O=C1Nc2ccc(Cl)cc2[C@@](/C=C/C2CC2)(C(F)(F)F)N1- InChIKey
UXDWYQAXEGVSPS-GFUIURDCSA-N- Molecular formula
- C14H12ClF3N2O
- Average molar mass
- 316.7 g/mol
- Monoisotopic mass
- 316.0590252
Overview
structure in first source
Names & identifiers
- Preferred name
- Dpc 083
- IUPAC
- (4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
- English name
- (4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE
- Molecular formula
- C14H12ClF3N2O
- Molecular weight
- 316.71
Names & synonyms
Dpc 083DPC083RefChem:920644214287-99-7DPC-083BMS-561390BMS 561390(4S)-6-CHLORO-4-((E)-2-CYCLOPROPYLVINYL)-4-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE(4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one2498M8N65F2(1H)-Quinazolinone, 6-chloro-4-((1E)-2-cyclopropylethenyl)-3,4-dihydro-4-(trifluoromethyl)-, (4S)-DPC 083; BMS 561390
Show more names
BMS561390,BMS 5613902-CHLORO-N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)
2(1H)-Quinazolinone, 6-chloro-4-[(1E)-2-cyclopropylethenyl]-3,4-dihydro-4-(trifluoromethyl)-, (4S)-CHEMBL29274BDBM2899orb1701006SCHEMBL4088810SCHEMBL29393057UNII-2498M8N65FUXDWYQAXEGVSPS-GFUIURDCSA-N
Database identifiers
- CAS
214287-99-7- PubChem CID
- 5327770
- DTXSID
DTXSID401356911- ChEMBL
CHEMBL29274- UNII
- 2498M8N65F
- Nikkaji
- J1.282.390H、J2.033.228J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- FDA UNII
- 2498 M8N65F · 2498M8N65F
Chemistry & industry
Applications
UsesDPC 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).
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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