Name: A1874
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212655898
Cas No:2064292-12-0
常用名:A1874
IUPAC:3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-{4-[(2-{2-[2-(2-{2-[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}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-methoxyphenyl}-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
IUPAC:3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-{4-[(2-{2-[2-(2-{2-[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}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-methoxyphenyl}-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
InChI key:IPNTVOAQOGRLQB-UHFFFAOYSA-N

分子式:C58H62Cl3F2N9O7S
分子量:1173.6
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:9.503334
SMILES:COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)NCCOCCOCCOCCNC(=O)CC1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:62|
SMILES:COc1cc(ccc1NC(=O)C1NC(CC(C)(C)C)C(C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)NCCOCCOCCOCCNC(=O)CC1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:62|

A1874 是一种基于 nutlin 的 BRD4 降解 PROTAC，可诱导细胞中的 BRD4 降解，DC50值为 32 nM。它有效抑制许多癌细胞系的增殖。

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