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  3. HIT214983055
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HIT214983055
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HIT214983055
  • HIT ID:HIT214983055
  • Cas No:3115178-55-4
  • 常用名:AS-99 TFA
  • IUPAC:N-{[3-(3-carbamothioylphenyl)-1-(1-trifluoromethanesulfonylpiperidin-4-yl)-1H-indol-6-yl]methyl}-1-methylazetidine-3-carboxamide; trifluoroacetic acid
    IUPAC:N-{[3-(3-carbamothioylphenyl)-1-(1-trifluoromethanesulfonylpiperidin-4-yl)-1H-indol-6-yl]methyl}-1-methylazetidine-3-carboxamide; trifluoroacetic acid
  • InChI key:ITRLRZWBIQCNTH-UHFFFAOYSA-N
  • 分子式:C29H31F6N5O5S2
  • 分子量:707.71
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OC(=O)C(F)(F)F.CN1CC(C1)C(=O)NCc1ccc2c(cn(C3CCN(CC3)S(=O)(=O)C(F)(F)F)c2c1)-c1cccc(c1)C(N)=S
    SMILES:OC(=O)C(F)(F)F.CN1CC(C1)C(=O)NCc1ccc2c(cn(C3CCN(CC3)S(=O)(=O)C(F)(F)F)c2c1)-c1cccc(c1)C(N)=S
  • AS-99 TFA is a first-in-class, potent and selective ASH1L histone methyltransferase inhibitor (IC50= 0.79 μM, Kd= 0.89 μM) with anti-leukemic activity. AS-99 TFA blocks cell proliferation, induces apoptosis and differentiation, downregulates MLL fusion target genes, and reduces the leukemia burden in vivo[1].
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  • 供应商
    TargetMolSC
    规格
    货期
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    -
    ¥ 4,665.00
    1

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