Name: MS33
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323420
Cas No:2407449-11-8
常用名:MS33
别名:MS33
IUPAC:N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-amido]-[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]undecanediamide
IUPAC:N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-amido]-[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]undecanediamide
InChI key:GLYGYEQLMMPSAW-QWQPEEPRSA-N

分子式:C64H84F3N11O7S
分子量:1208.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCN(CCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1
SMILES:CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCN(CCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1

MS33 is a highly effective degrader of the WDR5 protein, exhibiting Kd values of 870 nM and 120 nM for VCB and WDR5, respectively. It induces degradation of WDR5 through an E3 ligase VHL-mediated and proteasome-dependent mechanism. MS33 holds promise for furthering research in the field of acute myeloid leukemia.

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