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Chemical structure of WSF1-IN-1

GC62477

WSF1-IN-1

Also known as (7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one

WSF1-IN-1 (compound 136), an orally active WSF1 inhibitor, can be used in the study for WSF1 (Wolfram syndrome) related tumors, with IC50 values of 0·33 μM and >27 μM in HepG2 parental and HepG2 WFS1 KO cell lines, respectively

ChemicalCAS2379577-82-7MW446.43FormulaC20H21F3N8O
CAS number
2379577-82-7
Molecular weight
446.43
Formula
C20H21F3N8O
Solubility
DMSO ： 100 mg/mL (224·00 mM; Need ultrasonic)
InChIKey
KKHCZENFFDIZHM-LBPRGKRZSA-N
Catalogue number
GC62477
Brand
GLPBIO
Computed properties PubChem CID 146194099 · XLogP 2 · TPSA 101 Ų · H-bond donors 2
XLogP
2
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

SMILES C[C@H]1C(=O)NC2=C(N=C(N=C2N1C)NCC3=CN(N=C3)CC4=CN=C(C=C4)C(F)(F)F)C

Computed descriptors from PubChem (CID 146194099), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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