5'-S-ethyl-5'-thioadenosine
AlkaPlorer ID: AK263912
Synonym: None
IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Structure
SMILES: CCSC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O
InChI: InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey: HMXHURAGFHWODC-WOUKDFQISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | Trypanosoma | Trypanosomatidae | Trypanosomatida | Kinetoplastea | Euglenozoa | None | Eukaryota |
Properties Information
Molecule Weight: 311.367
TPSA？: 119.31000000000002
MolLogP？: -0.2192000000000002
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | S-methyl-5-thioadenosine phosphorylase | K cat | 2.9 | 1/sec | 10.1016/j.bmcl.2005.03.107 |
| Homo sapiens | S-methyl-5-thioadenosine phosphorylase | Km | 1800.0 | nM | 10.1016/j.bmcl.2005.03.107 |
| Homo sapiens | S-methyl-5-thioadenosine phosphorylase | Ratio | 1.6 | 1/uM*sec | 10.1016/j.bmcl.2005.03.107 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | 138000.0 | nM | 10.1128/aac.00480-07 |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | IC50 | nan | None | 10.1128/aac.00480-07 |
| None | Unchecked | Activity | 26.9 | % | 10.1128/aac.00480-07 |
| None | Unchecked | Activity | 76.2 | % | 10.1128/aac.00480-07 |
| None | Unchecked | Activity | 100.0 | % | 10.1128/aac.00480-07 |