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  3. HIT218963870
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HIT218963870
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HIT218963870
  • HIT ID:HIT218963870
  • Cas No:203258-38-2
  • 常用名:Brostallicin HCl
  • IUPAC:4-(4-{4-[4-(2-bromoprop-2-enamido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrole-2-amido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidamidoethyl)-1-methyl-1H-pyrrole-2-carboxamide hydrochloride
    IUPAC:4-(4-{4-[4-(2-bromoprop-2-enamido)-1-methyl-1H-pyrrole-2-amido]-1-methyl-1H-pyrrole-2-amido}-1-methyl-1H-pyrrole-2-amido)-N-(2-carbamimidamidoethyl)-1-methyl-1H-pyrrole-2-carboxamide hydrochloride
  • InChI key:IPKHXIAPPAKHTB-UHFFFAOYSA-N
  • 分子式:C30H36BrClN12O5
  • 分子量:760.05
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)C(Br)=C)cn4C)cn3C)cn2C)cc1C(=O)NCCNC(N)=N
    SMILES:Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)C(Br)=C)cn4C)cn3C)cn2C)cc1C(=O)NCCNC(N)=N
  • Brostallicin is a synthetic, alpha-bromoacrylic, second-generation minor groove binder (MGB), related to distamycin A, with potential antineoplastic activity. Brostallicin binds to DNA minor groove DNA, after having formed a highly reactive glutathione (GSH)-brostallicin complex in the presence of the enzyme glutathione S-transferase (GST), which is overexpressed in cancer cells; DNA replication and cell division are inhibited, resulting in tumor cell death. Compared to typical MGBs, this agent appears to bind covalently to DNA in a different manner and its activity does not depend on a functional DNA mismatch repair (MMR) mechanism. Accordingly, brostallicin may be effective against MMR-defective tumors that are refractory to various anticancer agents.
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  • 供应商
    TargetMolSC
    规格
    货期
    10-14周
    纯度
    -
    ¥ 15,000.00
    1

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