2-amino-8-hydroxy-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
AlkaPlorer ID: AK027256
Synonym: None
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
Structure
SMILES: NC1=NC(=O)C2=C(N1)N([C@H]1C[C@H](O)[C@@H](CO)O1)C(=O)N2
InChI: InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1
InChIKey: HCAJQHYUCKICQH-VPENINKCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Vibrio harveyi | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 283.244
TPSA？: 159.25
MolLogP？: -2.3642
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | ID50 | 0.39 | mM | 10.1021/jm00147a012 |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np5009762 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/np5009762 |
| None | Friend leukemia cell line | Benzidine positive cells | 62.0 | % | 10.1021/jm00147a012 |
| None | Friend leukemia cell line | ID50 | 0.39 | mM | 10.1021/jm00147a012 |
| None | Friend leukemia cell line | Optimal concentration | 0.2 | mM | 10.1021/jm00147a012 |