Name: UNC2399
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323417
Cas No:2412791-72-9
常用名:UNC2399
别名:UNC2399
IUPAC:6-{6-[4-(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontanoyl)piperazin-1-yl]pyridin-3-yl}-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-1-(propan-2-yl)-1H-indazole-4-carboxamide
IUPAC:6-{6-[4-(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontanoyl)piperazin-1-yl]pyridin-3-yl}-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-1-(propan-2-yl)-1H-indazole-4-carboxamide
InChI key:PSDIDGKZEPMSHC-FRQYIUQJSA-N

分子式:C67H104N10O17S
分子量:1353.68
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCN(CC3)c3ccc(cn3)-c3cc(C(=O)NCc4c(CCC)cc(C)[nH]c4=O)c4cnn(C(C)C)c4c3)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCN(CC3)c3ccc(cn3)-c3cc(C(=O)NCc4c(CCC)cc(C)[nH]c4=O)c4cnn(C(C)C)c4c3)[C@@]1([H])NC(=O)N2

UNC2399, a biotinylated version of UNC1999, functions as a selective degrader of EZH2 and exhibits strong in vitro efficacy against EZH2, demonstrated by its IC 50 value of 17 nM.

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