Name: HEMTAC WEE1 degrader-1
Rating: 5 (10 reviews)

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HIT ID:HIT219600945
Cas No:3002417-64-0
常用名:HEMTAC WEE1 degrader-1
IUPAC:5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-{4-[(4-{[(4-{4-[4-({1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)phenyl]piperazin-1-yl}butyl)carbamoyl]methyl}piperazin-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-carboxamide
IUPAC:5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-{4-[(4-{[(4-{4-[4-({1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)phenyl]piperazin-1-yl}butyl)carbamoyl]methyl}piperazin-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-carboxamide
InChI key:VWKHGQQDVPXYOQ-UHFFFAOYSA-N

分子式:C57H71N15O6
分子量:1062.294
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(CC(=O)NCCCCN3CCN(CC3)c3ccc(Nc4ncc5c(n4)n(-c4cccc(n4)C(C)(C)O)n(CC=C)c5=O)cc3)CC2)cc1
SMILES:CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(CC(=O)NCCCCN3CCN(CC3)c3ccc(Nc4ncc5c(n4)n(-c4cccc(n4)C(C)(C)O)n(CC=C)c5=O)cc3)CC2)cc1

HEMTACWEE1degrader-1 是一种靶向WEE1的HSP90介导嵌合降解剂 (HEMTAC)，其HSP90酶抑制活性呈现IC50: 16.76 nM。它能诱导WEE1的泛素化和降解，并有效阻断G2/M细胞周期。在急性髓系白血病 (AML) 患者来源的异种移植 (PDX) 模型中，HEMTACWEE1degrader-1 展现了抗癌活性。该化合物可应用于AML研究。

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