Name: PSB 1114
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212688387
Cas No:
常用名:PSB 1114
IUPAC:tetrasodium {[({[3,4-dihydroxy-5-(2-oxo-4-sulfanyl-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]difluoromethyl}phosphonate
IUPAC:tetrasodium {[({[3,4-dihydroxy-5-(2-oxo-4-sulfanyl-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methyl phosphonato}oxy)(oxido)phosphoryl]difluoromethyl}phosphonate
InChI key:KATPYMNMKKBLAH-UHFFFAOYSA-J

分子式:C10H11F2N2Na4O13P3S
分子量:622.14
氢键供体数 (HBD):3
氢键受体数 (HBA):12
LogP:-1.2868803
SMILES:[Na+].[Na+].[Na+].[Na+].OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)n1ccc(S)nc1=O
SMILES:[Na+].[Na+].[Na+].[Na+].OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)n1ccc(S)nc1=O

PSB 1114 is an effective and selective agonist of the P2Y2 receptor (EC50: 0.134 μM).

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