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  3. HIT212665251
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HIT212665251
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HIT212665251
  • HIT ID:HIT212665251
  • Cas No:59092-91-0
  • 常用名:Albaspidin AP
  • 别名:白绵马素AP
  • IUPAC:2-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one
    IUPAC:2-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one
  • InChI key:IDNSKTMYRFNECX-UHFFFAOYSA-N
  • 分子式:C22H26O8
  • 分子量:418.442
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):8
  • LogP:1.8755068
  • SMILES:CCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O |c:4,14,t:11,21|
    SMILES:CCC(=O)C1=C(O)C(C)(C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O |c:4,14,t:11,21|
  • Albaspidin-AP, -PP, -PB inhibit Fatty acid synthase (FAS) with IC50 values ranging from 23.1+/-1.4 to 71.7+/-3.9 microM, they could be considered to be a promising class of FAS inhibitors, and FAS is emerging as a potential therapeutic target to treat cancer and obesity.
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  • 供应商
    TargetMolSC
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    ¥ 2,470.00
    1

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