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Chemical structure of IDH1 Inhibitor 1

GC65554

IDH1 Inhibitor 1

Also known as (4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

IDH1 Inhibitor 1 is a potent, orally bioavailable, brain-penetrant and selective mutant IDH1 inhibitor with IC50s of 0·021 μM, 0·045 μM, and 2·52 μM for IDH1R132H, IDH1R132C, and IDH1WT, respectively· Anticancer activity

ChemicalCAS2234285-81-3MW450.39FormulaC20H18F4N6O2
CAS number
2234285-81-3
Molecular weight
450.39
Formula
C20H18F4N6O2
InChIKey
ULTZLMKTFYRMFK-WFASDCNBSA-N
Catalogue number
GC65554
Brand
GLPBIO
Computed properties PubChem CID 137333448 · XLogP 3.4 · TPSA 85.2 Ų · H-bond donors 1
XLogP
3.4
TPSA
85.2 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
32

SMILES C[C@@H](C1=CN(C=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC(=N3)N4[C@H](COC4=O)CF

Computed descriptors from PubChem (CID 137333448), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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