(R)-4-(1-(3-acetamidopropoxy)-2-aminoethyl)-2,6-dibromophenyl hydrogen sulfate
AlkaPlorer ID: AK112005
Synonym: None
IUPAC Name: [4-[(1R)-1-(3-acetamidopropoxy)-2-aminoethyl]-2,6-dibromophenyl] hydrogen sulfate
Structure
SMILES: CC(=O)NCCCO[C@@H](CN)C1=CC(Br)=C(OS(=O)(=O)O)C(Br)=C1
InChI: InChI=1S/C13H18Br2N2O6S/c1-8(18)17-3-2-4-22-12(7-16)9-5-10(14)13(11(15)6-9)23-24(19,20)21/h5-6,12H,2-4,7,16H2,1H3,(H,17,18)(H,19,20,21)/t12-/m0/s1
InChIKey: LUKTVGRPGJKVIG-LBPRGKRZSA-N
Reference
Antioxidant activity of newly discovered lineage of marine actinobacteria
PubChem CID: 66561477
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 490.1700000000001
TPSA？: 127.95
MolLogP？: 1.9358
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Kynureninase | Inhibition | nan | % | 10.1016/j.bmcl.2012.04.002 |
| Rattus norvegicus | Kynurenine 3-monooxygenase | IC50 | 1500.0 | nM | 10.1016/j.bmcl.2012.04.002 |
| Rattus norvegicus | Kynurenine 3-monooxygenase | Inhibition | nan | % | 10.1016/j.bmcl.2012.04.002 |
| Rattus norvegicus | Rattus norvegicus | Activity | 1.72 | pg/uL | 10.1016/j.bmcl.2012.04.002 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1016/j.bmcl.2012.04.002 |
| Rattus norvegicus | Rattus norvegicus | FC | 20.0 | None | 10.1016/j.bmcl.2012.04.002 |