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Chemical structure of PLK4-IN-4

GC72983

PLK4-IN-4

Also known as 6-N-[(2,4-difluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidine-4,6-diamine

PLK4-IN-4 (compound 22) is a potent PLK4 inhibitor with an IC50 value of 7·9 nM

ChemicalCAS2923999-01-1MW439.46FormulaC21H23F2N9
CAS number
2923999-01-1
Molecular weight
439.46
Formula
C21H23F2N9
Solubility
DMSO ： 100 mg/mL (227·55 mM; Need ultrasonic)
InChIKey
HPYJNDCKRXOAKV-UHFFFAOYSA-N
Catalogue number
GC72983
Brand
GLPBIO
Computed properties PubChem CID 168279678 · XLogP 3.1 · TPSA 108 Ų · H-bond donors 4
XLogP
3.1
TPSA
108 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
32

SMILES CC1=CC(=NN1)NC2=C3C=NN(C3=NC(=N2)NCC4=C(C=C(C=C4)F)F)C5CCNCC5

Computed descriptors from PubChem (CID 168279678), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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