Name: PROTAC SMARCA2/4-degrader-28
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218903897
Cas No:
常用名:PROTAC SMARCA2/4-degrader-28
IUPAC:N-[(5S,7R,23S)-11-tert-butyl-7-hydroxy-34-(4-methyl-1,3-thiazol-5-yl)-4,10,13-trioxo-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
IUPAC:N-[(5S,7R,23S)-11-tert-butyl-7-hydroxy-34-(4-methyl-1,3-thiazol-5-yl)-4,10,13-trioxo-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
InChI key:GMEHQGWGMMKWAX-ULIKAWSISA-N

分子式:C54H68ClN9O11S2
分子量:1118.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)C(NC(=O)COCCOCCOC[C@@H](COCCOCCOc1cc(ccc1CNC2=O)-c1scnc1C)NC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C
SMILES:[H][C@@]12C[C@@H](O)CN1C(=O)C(NC(=O)COCCOCCOC[C@@H](COCCOCCOc1cc(ccc1CNC2=O)-c1scnc1C)NC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)C(C)(C)C

PROTAC SMARCA2/4-degrader-28 (PROTAC 1) 作为基于PROTAC技术的分子，针对SMARCA2和SMARCA4实现部分降解。

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