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

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结构编辑

类似物检索

HIT ID:HIT212672391
Cas No:1334673-53-8
常用名:JAK-IN-1
IUPAC:N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
IUPAC:N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
InChI key:SIEMFXMJGAMFQR-INIZCTEOSA-N

分子式:C20H24N6O2
分子量:380.452
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:0.88184834
SMILES:CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
SMILES:CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N

JAK-IN-1 shows improved selectivity for JAK3 over JAK1. JAK-IN-1 is a JAK1/2/3 inhibitor with IC50s of 0.26, 0.8 and 3.2 nM, respectively.

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