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HIT100911651
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HIT100911651
  • HIT ID:HIT100911651
  • Cas No:519178-28-0
  • Common Name:TNP
  • alias:IP3K Inhibitor
  • IUPAC:N6-[(4-nitrophenyl)methyl]-N2-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2,6-diamine
    IUPAC:N6-[(4-nitrophenyl)methyl]-N2-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2,6-diamine
  • InChI key:DDSBPUYZPWNNGH-UHFFFAOYSA-N
  • Molecular Formula:C20H16F3N7O2
  • Molecular Weight:443.39
  • Hydrogen Bond Donor (HBD):3
  • Hydrogen Bond Acceptor (HBA):7
  • LogP:4.146577
  • SMILES:[O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1
    SMILES:[O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1
  • TNP (IP3K Inhibitor) is a cell-permeable inhibitor of IP6K1 and IP3K, with IC 50 values of 0.55 μM and 10.2 μM for IP6K1 and IP3K, respectively. TNP binds to the ATP-binding sites of both enzymes [1].
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