Name: ATP-polyamine-biotin
Rating: 5 (10 reviews)

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HIT ID:HIT212667341
Cas No:1800401-93-7
常用名:ATP-polyamine-biotin
别名:ATP多胺生物素
IUPAC:[({[3-({4-[(3-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}propyl)(methyl)amino]butyl}(methyl)amino)propyl]amino}(hydroxy)phosphoryl)oxy][({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
IUPAC:[({[3-({4-[(3-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}propyl)(methyl)amino]butyl}(methyl)amino)propyl]amino}(hydroxy)phosphoryl)oxy][({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
InChI key:MODMQMYTNMWWCS-MCINONILSA-N

分子式:C32H58N11O14P3S
分子量:945.86
氢键供体数 (HBD):10
氢键受体数 (HBA):17
LogP:-7.293529
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCN(C)CCCCN(C)CCCNP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCN(C)CCCCN(C)CCCNP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2

ATP-polyamine-biotin is a cell-permeable, efficient kinase cosubstrate with conversions and kinetics similar to those of other known ATP analogues. APB shows a cytotoxicity EC50 value of 19 ± 1 mM. ATP-polyamine-biotin is shown to promote biotin labeling of kinase substrates in live cells and has future applications in phosphoprotein purification and analysis. APB is cell-permeable and nontoxic at low mM concentrations, with cell penetration and labeling dependent on the polyamine linker.

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