2',4'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
AlkaPlorer ID: AK005687
Synonym: None
IUPAC Name: 2',4'-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Structure
SMILES: CC1CN2C(C(O1)C)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)NC3=O
InChI: InChI=1S/C17H18N4O6/c1-8-7-20-12-4-3-11(21(25)26)5-10(12)6-17(13(20)9(2)27-8)14(22)18-16(24)19-15(17)23/h3-5,8-9,13H,6-7H2,1-2H3,(H2,18,19,22,23,24)
InChIKey: DJZPHYIXNUOVJU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 374.35300000000007
TPSA？: 130.88
MolLogP？: 0.48549999999999993
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus faecalis | MIC | 4.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Enterococcus faecium | Enterococcus faecium | MIC | 8.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Escherichia coli | Escherichia coli | MIC | 0.06 | ug.mL-1 | 10.1128/aac.00247-08 |
| Escherichia coli | Escherichia coli | MIC | 0.125 | ug.mL-1 | 10.1128/aac.00247-08 |
| Escherichia coli | Escherichia coli | MIC | 4.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 0.06 | ug.mL-1 | 10.1128/aac.00247-08 |
| Haemophilus influenzae | Haemophilus influenzae | MIC | 0.5 | ug.mL-1 | 10.1128/aac.00247-08 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | nan | None | 10.1128/aac.00247-08 |
| Moraxella catarrhalis | Moraxella catarrhalis | MIC | 2.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Mus musculus | MC9 | Inhibition | nan | % | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | AUC | 27600.0 | ng.hr.mL-1 | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | AUC | 31000.0 | ng.hr.mL-1 | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | CL | 11.62 | mL.min-1.kg-1 | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | Cmax | 41939.36 | nM | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | F | 94.7 | % | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | T1/2 | 0.927 | hr | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | T1/2 | 1.22 | hr | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | Tmax | 1.0 | hr | 10.1128/aac.00247-08 |
| Mus musculus | Mus musculus | Vdss | 0.623 | L.kg-1 | 10.1128/aac.00247-08 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | nan | None | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | ED50 | 12.5 | mg.kg-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | ED50 | 19.5 | mg.kg-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.5 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC50 | 1.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 1.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 2.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 1.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 1.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 2.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 4.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC50 | 4.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC90 | 8.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 2.0 | ug.mL-1 | 10.1128/aac.00247-08 |
| None | Unchecked | IC50 | 9000.0 | nM | 10.1128/aac.00247-08 |
| None | Unchecked | IC50 | 30000.0 | nM | 10.1128/aac.00247-08 |
| None | Unchecked | IC50 | 200000.0 | nM | 10.1128/aac.00247-08 |