Name: PTPN22-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT214323599
Cas No:2580935-57-3
常用名:PTPN22-IN-1
别名:PTPN22-IN-1
IUPAC:6-[(2S)-2-({[1,1'-biphenyl]-4-yl}formamido)propanamido]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC:6-[(2S)-2-({[1,1'-biphenyl]-4-yl}formamido)propanamido]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
InChI key:PBKUVBJIDJIKJJ-HNNXBMFYSA-N

分子式:C26H21N3O5
分子量:455.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)Nc1ccc2[nH]cc(C(O)=O)c(=O)c2c1
SMILES:C[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)Nc1ccc2[nH]cc(C(O)=O)c(=O)c2c1

PTPN22-IN-1 is a potent PTPN22 inhibitor ( IC 50 =1.4 μM; K i =0.50 μM). PTPN22-IN-1 exhibits >7-10 fold selectivity for PTPN22 over similar phosphatases. PTPN22-IN-1 augments antitumor immune responses. From WO2021007491A1 compound L-1.

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