Name: MIF degrader MD13
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220911918
Cas No:2758431-97-7
常用名:MIF degrader MD13
IUPAC:8-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-N-[4-(7-hydroxy-2-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)phenyl]octanamide
IUPAC:8-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-N-[4-(7-hydroxy-2-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl)phenyl]octanamide
InChI key:InChIKey=HAHDZDUOFHMMEA-UHFFFAOYSA-N

分子式:C35H35N5O8
分子量:653.692
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Oc1ccc2CN(C(=O)Oc2c1)c1ccc(NC(=O)CCCCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
SMILES:Oc1ccc2CN(C(=O)Oc2c1)c1ccc(NC(=O)CCCCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1

MIF degrader MD13 is involved in protein-protein interactions that play key roles in inflammation and cancer. Current strategies to develop small molecule modulators of MIF functions are mainly restricted to the MIF tautomerase active siteMIF degrader MD13. MD13 also exhibits antiproliferative effect in a 3D tumor spheroid model. In conclusion, we describe the first MIF-directed PROTAC (MD13) as a research tool, which also demonstrates the potential of PROTACs in cancer therapy.

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