Name: Zapalog
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672246
Cas No:1708091-24-0
常用名:Zapalog
IUPAC:(1R)-1-[3-(4-{4-[1-(2-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy}ethoxy)ethyl]-2-methoxy-5-nitrophenoxy}butanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC:(1R)-1-[3-(4-{4-[1-(2-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy}ethoxy)ethyl]-2-methoxy-5-nitrophenoxy}butanamido)phenyl]-3-(3,4-dimethoxyphenyl)propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
InChI key:ONSMHWXTRWDIMR-SXIGHEGWSA-N

分子式:C58H73N7O15
分子量:1108.256
氢键供体数 (HBD):3
氢键受体数 (HBA):18
LogP:9.030524
SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCCOc2cc(c(cc2OC)C(C)OCCOc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)[N+]([O-])=O)c1
SMILES:CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(NC(=O)CCCOc2cc(c(cc2OC)C(C)OCCOc2c(OC)cc(Cc3cnc(N)nc3N)cc2OC)[N+]([O-])=O)c1

Zapalog is a photocleavable small-molecule heterodimerizer that can be used to repeatedly initiate, and instantaneously terminate, a physical interaction between two target proteins.

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