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Chemical structure of USP8-IN-3

GC70103

USP8-IN-3

Also known as 1-(4-nitrophenyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiourea

USP8-IN-3 (Compd U51) is a deubiquitinase USP8 inhibitor with an IC50 value of 4·0 μM· USP8-IN-3 also inhibits the proliferation of GH3 and H1957 cells, with GI50 values of 37·03 μM and 6·01 μM, respectively

ChemicalCAS2477651-10-6MW425.43FormulaC18H18F3N5O2S
CAS number
2477651-10-6
Molecular weight
425.43
Formula
C18H18F3N5O2S
Solubility
DMSO ： 100 mg/mL (235·06 mM; Need ultrasonic)
InChIKey
DYHHEFBWFATDAN-UHFFFAOYSA-N
Catalogue number
GC70103
Brand
GLPBIO
Computed properties PubChem CID 150116188 · XLogP 3.9 · TPSA 118 Ų · H-bond donors 2
XLogP
3.9
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
29

SMILES C1CN(CCC1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC(=N3)C(F)(F)F

Computed descriptors from PubChem (CID 150116188), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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