Name: 2-MeS-ATP
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HIT ID:HIT218695618
Cas No:43170-89-4
Common Name:2-MeS-ATP
alias:2-Methylthio-ATP
IUPAC:({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
IUPAC:({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChIKey:XNOBOKJVOTYSJV-KQYNXXCUSA-N

Molecular Formula:C11H18N5O13P3S
Molecular Weight:553.27
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
SMILES:CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1

2-MeS-ATP (2-Methylthio-ATP) is an analog of adenosine nucleotides, serving specifically as an agonist for P2Y purinergic receptors (P2Y purinergic receptor). This compound also inhibits the release of toxic mediators by macrophages stimulated by lipopolysaccharides (LPS). It is utilized in research related to endotoxic shock and inflammatory diseases.

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