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Chemical structure of Mutant IDH1-IN-4

GC33318

Mutant IDH1-IN-4

Also known as 8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Mutant IDH1-IN-4 (compound 434) is an inhibitor of mutant Isocitrate dehydrogenase 1 (IDH 1), with IC50 values of ≤ 0·5 μM for mutant IDH1 in R132H, HT1080 and U87R132H cells

ChemicalCAS1416270-18-2MW438.56FormulaC25H34N4O3
CAS number
1416270-18-2
Molecular weight
438.56
Formula
C25H34N4O3
Solubility
Soluble in DMSO
InChIKey
GNDMXEAGAZOBEM-NRFANRHFSA-N
Catalogue number
GC33318
Brand
GLPBIO
Computed properties PubChem CID 71119107 · XLogP 1.8 · TPSA 78.7 Ų · H-bond donors 0
XLogP
1.8
TPSA
78.7 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

SMILES CC1(CC2=C(CO1)C(=NC(=C2C#N)N3CCN([C@@H](C3)C4CC4)C(=O)CCOC)C5CC5)C

Computed descriptors from PubChem (CID 71119107), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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