Name: S07-2005 (racemic)
Rating: 5 (10 reviews)

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HIT ID:HIT102358204
Cas No:1826337-40-9
常用名:S07-2005 (racemic)
IUPAC:5-{[1-(6-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-N-methylformamido]methyl}-2-methylfuran-3-carboxylic acid
IUPAC:5-{[1-(6-ethoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-N-methylformamido]methyl}-2-methylfuran-3-carboxylic acid
InChI key:HTYBIMSPDCMSCK-UHFFFAOYSA-N

分子式:C20H23NO6
分子量:373.405
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:2.962
SMILES:CCOc1ccc2OCC(Cc2c1)C(=O)N(C)Cc1cc(C(O)=O)c(C)o1
SMILES:CCOc1ccc2OCC(Cc2c1)C(=O)N(C)Cc1cc(C(O)=O)c(C)o1

S07-2005 racemic is a chemically potent and selective inhibitor of aldo-keto reductase 1C3 (AKR1C3), with an IC50 value of 0.13 μM and 0.75 μM for AKR1C3 and AKR1C4, respectively. Due to its inhibitory properties, it exhibits potential as a chemotherapeutic potentiator, specifically in the context of overcoming drug resistance in cancer [1].

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