Name: G-744
Rating: 5 (10 reviews)

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HIT ID:HIT212670209
Cas No:1346669-54-2
常用名:G-744
IUPAC:10-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-dien-9-one
IUPAC:10-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-dien-9-one
InChI key:QAESSIFTPVEYRY-UHFFFAOYSA-N

分子式:C29H29N5O3S
分子量:527.64
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.4834235
SMILES:Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO
SMILES:Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO

G-744 is a selective and orally active inhibitor of Btk (IC50: 2 nM). G-744 is well-tolerated, metabolically stable. It also has an efficacious to treat arthritis.

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