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  3. HIT214322312
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HIT214322312
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HIT214322312
  • HIT ID:HIT214322312
  • Cas No:1224095-99-1
  • 常用名:Brilacidin tetrahydrochloride
  • 别名:PMX 30063 tetrahydrochloride
  • IUPAC:N4,N6-bis[3-(5-carbamimidamidopentanamido)-2-[(3R)-pyrrolidin-3-yloxy]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide tetrahydrochloride
    IUPAC:N4,N6-bis[3-(5-carbamimidamidopentanamido)-2-[(3R)-pyrrolidin-3-yloxy]-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide tetrahydrochloride
  • InChI key:QTHBCQCKYVOFDR-PIJQHSLXSA-N
  • 分子式:C40H54Cl4F6N14O6
  • 分子量:1082.75
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cl.Cl.Cl.Cl.NC(=N)NCCCCC(=O)Nc1cc(cc(NC(=O)c2cc(ncn2)C(=O)Nc2cc(cc(NC(=O)CCCCNC(N)=N)c2O[C@@H]2CCNC2)C(F)(F)F)c1O[C@@H]1CCNC1)C(F)(F)F
    SMILES:Cl.Cl.Cl.Cl.NC(=N)NCCCCC(=O)Nc1cc(cc(NC(=O)c2cc(ncn2)C(=O)Nc2cc(cc(NC(=O)CCCCNC(N)=N)c2O[C@@H]2CCNC2)C(F)(F)F)c1O[C@@H]1CCNC1)C(F)(F)F
  • Brilacidin tetrahydrochloride (PMX 30063 tetrahydrochloride) is a defensin mimetic antibiotic compound, exhibiting potent anti-infective antimicrobial activity against a range of bacteria. It demonstrates MIC90 values of 1 μg/mL and 8 μg/mL against the Gram-positive bacteria Streptococcus pneumoniae and Streptococcus viridans, respectively. Additionally, it has a MIC90 value of 8 μg/mL for the Gram-negative bacteria Haemophilus influenzae and a MIC90 value of 4 μg/mL for Pseudomonas aeruginosa.
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