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HIT212744836
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HIT212744836
  • HIT ID:HIT212744836
  • Cas No:2117405-48-6
  • 常用名:SW203668 (trifluoroacetate salt)
    常用名:SW203668 (trifluoroacetate salt)
  • IUPAC:4-[amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide; trifluoroacetic acid
    IUPAC:4-[amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide; trifluoroacetic acid
  • InChI key:SIUPHFAIFLEFIT-UHFFFAOYSA-N
  • 分子式:C24H20F3N3O4S
  • 分子量:503.5
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):4
  • LogP:4.641944
  • SMILES:OC(=O)C(F)(F)F.COc1ccc2nc(NC(=O)c3ccc(cc3)C(N)c3ccccc3)sc2c1
    SMILES:OC(=O)C(F)(F)F.COc1ccc2nc(NC(=O)c3ccc(cc3)C(N)c3ccccc3)sc2c1
  • SW203668 is an irreversible inhibitor of stearoyl-CoA desaturase (IC50 = 54 nM). It is selectively cytotoxic to H2122, H460, HCC44, and HCC95 cell lines that express cytochrome P450 (CYP) isoform CYP4F11 over eight other cancer cell lines that lack CYP4F11 in vitro (IC50s = 22-116 and >10,000 nM, respectively) and ectopic expression of CYP4F11 in SW203668-insensitive H1155 cells results in sensitization to SW203668.
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