Microxine
AlkaPlorer ID: AK012714
Synonym: None
IUPAC Name: 2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid
Structure
SMILES: CN1C(O)=NC2=NC=NC(NCCS(=O)(=O)O)=C21
InChI: InChI=1S/C8H11N5O4S/c1-13-5-6(9-2-3-18(15,16)17)10-4-11-7(5)12-8(13)14/h4H,2-3H2,1H3,(H,15,16,17)(H2,9,10,11,12,14)
InChIKey: OTYWCUOKKIHICD-UHFFFAOYSA-N
Reference
Microxine, a New cdc2 Kinase Inhibitor from the Australian Marine Sponge <i>Microxina</i> Species
PubChem CID: 10061827
CAS: 335214-08-9
LOTUS: LTS0267992
NPASS: NPC104011
COCONUT: CNP0113178
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Microxina | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 273.274
TPSA？: 130.23
MolLogP？: -0.6313999999999997
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np000546z |
| Homo sapiens | Cyclin-dependent kinase 1 | IC50 | 13000.0 | nM | 10.1021/np000546z |
| Homo sapiens | Dual specificity phosphatase Cdc25A | Activity | nan | None | 10.1021/np000546z |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np000546z |