Name: Umbralisib hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212673415
Cas No:1532533-78-0
常用名:Umbralisib hydrochloride
别名:TGR-1202 hydrochloride, RP5264 hydrochloride
别名:TGR-1202 hydrochloride, RP5264 hydrochloride
IUPAC:2-[(1S)-1-{4-amino-3-[3-fluoro-4-(propan-2-yloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one hydrochloride
IUPAC:2-[(1S)-1-{4-amino-3-[3-fluoro-4-(propan-2-yloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one hydrochloride
InChI key:QGVUVMVWYWMZIR-NTISSMGPSA-N

分子式:C31H25ClF3N5O3
分子量:608.02
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:6.1342435
SMILES:Cl.CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
SMILES:Cl.CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12

Umbralisib hydrochloride is a novel PI3Kδ inhibitor (IC50 and EC50 of 22.2 nM and 24.3 nM, respectively). Umbralisib hydrochloride is also active against CK1ε (EC50: 6.0 μM).

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