8-Hydroxyguanosine
AlkaPlorer ID: AK082516
Synonym: 'Purine-6,8(1H,9H)-dione, 2-amino-9-.beta.-delta-ribofuranosyl- (7CI,8CI)', '7,8-Dihydro-8-oxo-Guanosine', 'Purine-6,8(1H,9H)-dione, 2-amino-9-.beta.-D-ribofuranosyl- (7CI,8CI)', '8-Oxoguanosine'
IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
Structure
SMILES: NC1=NC2=C(NC(=O)N2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
InChI: InChI=1S/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1
InChIKey: FPGSEBKFEJEOSA-UMMCILCDSA-N
Source
Properties Information
Molecule Weight: 299.24300000000005
TPSA？: 179.48
MolLogP？: -3.3934
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus anthracis | IC50 | nan | None | 10.1128/aac.01029-10 |
| Homo sapiens | HL-60 | ID50 | 8.0 | mM | 10.1021/jm00147a012 |
| Mus musculus | J774.A1 | Activity | nan | None | 10.1128/aac.01029-10 |
| None | ADMET | Activity | nan | None | 10.1128/aac.01029-10 |
| None | Friend leukemia cell line | Benzidine positive cells | 33.0 | % | 10.1021/jm00147a012 |
| None | Friend leukemia cell line | ID50 | 8.0 | mM | 10.1021/jm00147a012 |
| None | Friend leukemia cell line | Optimal concentration | 5.0 | mM | 10.1021/jm00147a012 |