Name: IDH1 Inhibitor 1
Rating: 5 (10 reviews)

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HIT ID:HIT212671469
Cas No:2234285-81-3
常用名:IDH1 Inhibitor 1
IUPAC:(4R)-4-(fluoromethyl)-3-(2-{[(1S)-1-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
IUPAC:(4R)-4-(fluoromethyl)-3-(2-{[(1S)-1-{1-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}ethyl]amino}pyrimidin-4-yl)-1,3-oxazolidin-2-one
InChI key:ULTZLMKTFYRMFK-WFASDCNBSA-N

分子式:C20H18F4N6O2
分子量:450.398
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:3.6217787
SMILES:C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F
SMILES:C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F

IDH1 Inhibitor 1 is an orally bioavailable, brain-penetrant, and selective mutant IDH1 inhibitor (IC50s: 0.021 μM, 0.045 μM, and 2.52 μM for IDH1R132H, IDH1R132C, and IDH1WT).

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