Name: PROTAC BRD4 Degrader-29
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251128
Cas No:
常用名:PROTAC BRD4 Degrader-29
IUPAC:N-{1-[5-({4-[(2-{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]acetamido}ethyl)carbamoyl]phenyl}sulfanyl)-1-(oxan-4-yl)pent-2-yn-1-yl]piperidin-4-yl}-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide
IUPAC:N-{1-[5-({4-[(2-{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]acetamido}ethyl)carbamoyl]phenyl}sulfanyl)-1-(oxan-4-yl)pent-2-yn-1-yl]piperidin-4-yl}-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamide
InChI key:FAQQTLCPTJKOTI-OXELCNDUSA-N

分子式:C58H61ClN10O9S2
分子量:1141.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCNC(=O)c1ccc(SCCC#CC(C3CCOCC3)N3CCC(CC3)NC(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
SMILES:Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCNC(=O)c1ccc(SCCC#CC(C3CCOCC3)N3CCC(CC3)NC(=O)COc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1

PROTAC BRD4 Degrader-29 (compound 7a) 是一种有效的BRD4 PROTACs降解剂，DC50为89.4 nM，在癌症研究中具有重要作用。

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