Name: LH1307
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320939
Cas No:2375720-38-8
常用名:LH1307
IUPAC:N-{2-[({2-[(5-cyanopyridin-3-yl)methoxy]-4-{[3'-({5-[(5-cyanopyridin-3-yl)methoxy]-4-{[(2-acetamidoethyl)amino]methyl}-2-methylphenoxy}methyl)-2,2'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-5-methylphenyl}methyl)amino]ethyl}acetamide
IUPAC:N-{2-[({2-[(5-cyanopyridin-3-yl)methoxy]-4-{[3'-({5-[(5-cyanopyridin-3-yl)methoxy]-4-{[(2-acetamidoethyl)amino]methyl}-2-methylphenoxy}methyl)-2,2'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-5-methylphenyl}methyl)amino]ethyl}acetamide
InChI key:RNCINFJGGSQEHN-UHFFFAOYSA-N

分子式:C54H58N8O6
分子量:915.108
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)-c2cccc(COc3cc(OCc4cncc(c4)C#N)c(CNCCNC(C)=O)cc3C)c2C)cc1OCc1cncc(c1)C#N
SMILES:CC(=O)NCCNCc1cc(C)c(OCc2cccc(c2C)-c2cccc(COc3cc(OCc4cncc(c4)C#N)c(CNCCNC(C)=O)cc3C)c2C)cc1OCc1cncc(c1)C#N

LH1307 is an inhibitor of the interaction between programmed cell death 1 (PD-1) and its ligand PD-L1 that has an IC50 value of 3 nM in a homologous time-resolved fluorescence (HTRF) assay.1 It increases the activation of Jurkat cells expressing PD-1 in co-culture with U2OS or CHO cells expressing PD-L1 (EC50s = 79 and 763 nM, respectively, in reporter assays).

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