Name: MRS2179
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318564
Cas No:101204-49-3
常用名:MRS2179
别名:MRS-2179, MRS 2179
IUPAC:{[(2R,3S,5R)-5-[6-(methylamino)-9H-purin-9-yl]-3-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid
IUPAC:{[(2R,3S,5R)-5-[6-(methylamino)-9H-purin-9-yl]-3-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid
InChI key:CCPLITQNIFLYQB-XLPZGREQSA-N

分子式:C11H17N5O9P2
分子量:425.231
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1
SMILES:CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@@H](COP(O)(O)=O)O1

MRS2179 is a competitive P2Y1 receptor antagonist (Kb = 100 nM) with no appreciable activity at P2Y2, P2Y4, or P2Y6 at concentrations up to 30 µM, or at P2Y12 and P2Y13. It inhibits ADP-induced platelet shape change and aggregation (pA2 = 6.55) in vitro and prolongs bleeding time in rats and mice compared to controls.

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