Name: Phen-DC3 Trifluoromethanesulfonate
Rating: 5 (10 reviews)

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HIT ID:HIT212672848
Cas No:929895-45-4
常用名:Phen-DC3 Trifluoromethanesulfonate
常用名:Phen-DC3 Trifluoromethanesulfonate
别名:Phen-DC3 Triflate
IUPAC:1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium ditrifluoromethanesulfonate
IUPAC:1-methyl-3-{9-[(1-methylquinolin-1-ium-3-yl)carbamoyl]-1,10-phenanthroline-2-amido}quinolin-1-ium ditrifluoromethanesulfonate
InChI key:PYJCATLYPXPYHF-UHFFFAOYSA-N

分子式:C36H26F6N6O8S2
分子量:848.75
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:-3.155
SMILES:[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12
SMILES:[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.C[n+]1cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc2c[n+](C)c3ccccc3c2)cc2ccccc12

Phen-DC3 Trifluoromethanesulfonate is a G-quadruplex (G4) specific ligand. It also can inhibit FANCJ and DinG helicases (IC50s: 65±6 and 50±10 nM, respectively).

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