PROTAC SMARCA2 degrader-21 | CAS 2891464-61-0 | AnyMole

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HIT218929755

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HIT218929755

HIT ID:HIT218929755
Cas No:2891464-61-0
常用名:PROTAC SMARCA2 degrader-21
IUPAC:4-hydroxy-1-(2-{[6-(4-{2-[4-(2-hydroxyphenyl)-1,5,6,8,12-pentaazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-trien-12-yl]pyrimidin-4-yl}piperidin-1-yl)spiro[3.3]heptan-2-yl]formamido}-3,3-dimethylbutanoyl)-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:4-hydroxy-1-(2-{[6-(4-{2-[4-(2-hydroxyphenyl)-1,5,6,8,12-pentaazatricyclo[8.4.0.0^{2,7}]tetradeca-2,4,6-trien-12-yl]pyrimidin-4-yl}piperidin-1-yl)spiro[3.3]heptan-2-yl]formamido}-3,3-dimethylbutanoyl)-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:MAJUVMYADBRQDI-UHFFFAOYSA-N

分子式:C54H66N12O5S
分子量:995.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(C3)N3CCC(CC3)c3ccnc(n3)N3CCN4C(CNc5nnc(cc45)-c4ccccc4O)C3)C2)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC3(CC(C3)N3CCC(CC3)c3ccnc(n3)N3CCN4C(CNc5nnc(cc45)-c4ccccc4O)C3)C2)C(C)(C)C)cc1

PROTAC SMARCA2 degrader-21 (Compound I-5) 为针对SMARCA的PROTAC降解剂。该化合物在A549细胞中可降解SMARCA2，具有DC50值为10-50 nM, 并在MV411细胞中同时降解SMARCA2与SMARCA4，其DC50值分别为<1 nM 和 >100 nM。

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