Name: FD 12-9
Rating: 5 (10 reviews)

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HIT ID:HIT212670809
Cas No:1451741-22-2
常用名:FD 12-9
别名:Ac12Az9
IUPAC:methyl 3-[({4-oxo-2-[4-(2-{2-[2-(4-{4-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]butyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethoxy)phenyl]-4H-chromen-3-yl}oxy)methyl]benzoate
IUPAC:methyl 3-[({4-oxo-2-[4-(2-{2-[2-(4-{4-[(4-oxo-2-phenyl-4H-chromen-7-yl)oxy]butyl}-1H-1,2,3-triazol-1-yl)ethoxy]ethoxy}ethoxy)phenyl]-4H-chromen-3-yl}oxy)methyl]benzoate
InChI key:WDTNQVLDVIDALR-UHFFFAOYSA-N

分子式:C51H47N3O11
分子量:877.947
氢键供体数 (HBD):0
氢键受体数 (HBA):12
LogP:7.7710767
SMILES:COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
SMILES:COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1

FD 12-9, Anti-glioblastoma activity. is a flavonoid dimer, acts as a dual inhibitor of P-gp and BCRP, with EC50s of 285 nM and 0.9 nM, respectively.

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