Name: MRS 4062 triethylammonium salt
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212693126
Cas No:1309871-50-8
常用名:MRS 4062 triethylammonium salt
别名:MRS-4062, MRS4062, MRS 4062
IUPAC:tetrakis(triethylazanium) ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{2-oxo-4-[(3-phenylpropoxy)amino]-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
IUPAC:tetrakis(triethylazanium) ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{2-oxo-4-[(3-phenylpropoxy)amino]-1,2-dihydropyrimidin-1-yl}oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
InChI key:ZCDZFMKRHPANNI-IHQKQWLFSA-N

分子式:C42H86N7O15P3
分子量:1022.105
氢键供体数 (HBD):3
氢键受体数 (HBA):14
LogP:-0.86736494
SMILES:CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1ccc(NOCCCc2ccccc2)nc1=O
SMILES:CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1ccc(NOCCCc2ccccc2)nc1=O

MRS 4062 triethylammonium salt is a selective P2Y4 receptor agonist (EC50 values are 23, 640, and 740 nM for hP2Y4, hP2Y2 and hP2Y6 respectively).

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