S 2720
Basic information
- CAS
146739-86-8- Standard SMILES
C=C(C)OC(=O)N1c2cc(Cl)ccc2NC(=S)C1(C)C- InChIKey
UNOJVGJCKUQAGH-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O2S
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0542766
Overview
potent inhibitor of both human immunodeficiency virus type 1 reverse transcriptase activity & HIV-1 replication in tissue culture; structure given in first source
Names & identifiers
- Preferred name
- S 2720
- IUPAC
- prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-sulfanylidene-4H-quinoxaline-1-carboxylate
- English name
- S 2720
- Molecular formula
- C14H15ClN2O2S
- Molecular weight
- 310.7991
Names & synonyms
146739-86-8S 2720S-2720DTXSID001634671(2H)-Quinoxalinecarboxylic acid, 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-, 1-methylethenyl esterRefChem:180440DTXCID50859586-Chloro-3,3-dimethyl-4-(isopropenyloxycarbonyl)-3,4-dihydroquinoxalin-2(1H)-thioneS2720prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-sulfanylidene-4H-quinoxaline-1-carboxylateSCHEMBL599212orb1738894
Show more names
1-Methylethenyl 7-chloro-3,4-dihydro-2,2-dimethyl-3-thioxo-1(2H)-Quinoxalinecarboxylateprop-1-en-2-yl 7-chloro-2,2-dimethyl-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylateHY-117725isopropenyl 7-chloro-2,2-dimethyl-3-thioxo-4H-quinoxaline-1-carboxylateProp-1-en-2-yl 7-chloro-2,2-dimethyl-3-sulfanylidene-3,4-dihydroquinoxaline-1(2H)-carboxylate
Database identifiers
- CAS
146739-86-8- PubChem CID
- 3000452
- DTXSID
DTXSID00163467- Nikkaji
- J550.911D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Chemistry & industry
Applications
DescriptionS 2720 is a human immunodeficiency virus type 1 (HIV-1)-specific reverse transcriptase (RT) inhibitor quinoxaline.
UsesS-2720 is a potent inhibitor of both immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT) and HIV-1 replication. The binding sites of S-2720 and the nonnucleoside compounds overlap. The small pocket in the p66 subunit-BI-RG-587 (HY-10570) complex is most likely the target of S-2720. S-2720 is a quinoxaline derivative, which is promising for research of HIV-1 infection[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…