5,6-dihydrothymidine
AlkaPlorer ID: AK114033
Synonym: 'DHdT', 'dihydrothymidine'
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Structure
SMILES: CC1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
InChI: InChI=1S/C10H16N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5-8,13-14H,2-4H2,1H3,(H,11,15,16)/t5?,6-,7+,8+/m0/s1
InChIKey: FEYHMSUYKIMUAL-UNYLCCJPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 244.247
TPSA？: 99.1
MolLogP？: -1.357499999999999
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Thymidine kinase | Inhibition | 53.0 | % | 10.1021/jm00348a007 |
| Rattus norvegicus | Thymidine kinase 2 | Inhibition | 83.0 | % | 10.1021/jm00348a007 |
| Rattus norvegicus | Thymidine kinase 2 | Ki | 77000.0 | nM | 10.1021/jm00348a007 |
| Rattus norvegicus | Thymidine kinase 2 | Relative affinity | 0.1 | None | 10.1021/jm00348a007 |