Name: DB2313 HCl
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219469133
Cas No:2170606-75-2
常用名:DB2313 HCl
IUPAC:2-[4-({2-fluoro-3-[(4-{6-[N-(propan-2-yl)carbamimidoyl]-1H-1,3-benzodiazol-2-yl}phenoxy)methyl]phenyl}methoxy)phenyl]-N-(propan-2-yl)-1H-1,3-benzodiazole-6-carboximidamide tetrahydrochloride
IUPAC:2-[4-({2-fluoro-3-[(4-{6-[N-(propan-2-yl)carbamimidoyl]-1H-1,3-benzodiazol-2-yl}phenoxy)methyl]phenyl}methoxy)phenyl]-N-(propan-2-yl)-1H-1,3-benzodiazole-6-carboximidamide tetrahydrochloride
InChI key:VTQBTZDMPNTLGK-UHFFFAOYSA-N

分子式:C42H45Cl4FN8O2
分子量:854.67
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.Cl.Cl.CC(C)NC(=N)c1ccc2nc([nH]c2c1)-c1ccc(OCc2cccc(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(=N)NC(C)C)c2F)cc1
SMILES:Cl.Cl.Cl.Cl.CC(C)NC(=N)c1ccc2nc([nH]c2c1)-c1ccc(OCc2cccc(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(=N)NC(C)C)c2F)cc1

DB2313 is a first-in-class potent small-molecule inhibitor of PU.1. DB2313 disrupts the interaction of PU.1 with target gene promoters and leads to down-regulation of canonical PU.1 transcriptional targets.

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