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HIT100623941
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HIT100623941
  • HIT ID:HIT100623941
  • Cas No:631897-75-1
  • Common Name:MAT2A-IN-12
  • IUPAC:12-methoxy-5-methyl-3-(4-methylphenyl)-8-oxa-4-azatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-ium-4-olate
    IUPAC:12-methoxy-5-methyl-3-(4-methylphenyl)-8-oxa-4-azatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-ium-4-olate
  • InChI key:BWMRZPZVODSGTH-UHFFFAOYSA-N
  • Molecular Formula:C20H17NO3
  • Molecular Weight:319.36
  • Hydrogen Bond Donor (HBD):0
  • Hydrogen Bond Acceptor (HBA):4
  • LogP:3.853
  • SMILES:COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(C)cc4)c3c2c1
    SMILES:COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(C)cc4)c3c2c1
  • MAT2A Allosteric Inhibitor 2 is a potent, selective inhibitor exhibiting an IC50 of 5 nM and demonstrates nanomolar efficacy (IC50 = 5 μM) in proliferation assays utilizing the MTAP -/- cell line [1].
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