2'-amino-2'-deoxyadenosine
AlkaPlorer ID: AK028228
Synonym: None
IUPAC Name: (2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Structure
SMILES: NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)C2=NC=N1
InChI: InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey: CQKMBZHLOYVGHW-QYYRPYCUSA-N
Reference
Microbial Synthesis of Purine 2′-Amino-2′-deoxyribosides
PubChem CID: 447594
LOTUS: LTS0257115
SuperNatural Ⅲ: SN0052830-04
{NPAtlas: NPA001164
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura sp. | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 266.261
TPSA？: 145.32999999999998
MolLogP？: -2.0135999999999994
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Adenosine A3 receptor | Ki | 301.0 | nM | 10.1021/jm010232o |
| Homo sapiens | Adenosine A3 receptor | Ki | 1000000.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A1 receptor | Ki | 10.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A2a receptor | Ki | 10.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A3 receptor | Ki | 10.0 | nM | 10.1021/jm010232o |