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Chemical structure of DLK-IN-1

GC30913

DLK-IN-1

Also known as 5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

DLK-IN-1 is a selective, orally active inhibitor of dual leucine zipper kinase (DLK, MAP3K12), with a Ki of 3 nM

ChemicalCAS1620574-24-4MW423.43FormulaC20H24F3N5O2
CAS number
1620574-24-4
Molecular weight
423.43
Formula
C20H24F3N5O2
Solubility
DMSO ： 62·5 mg/mL (147·60 mM)
InChIKey
UHEFRVBGJORHNV-UUVAVEHKSA-N
Catalogue number
GC30913
Brand
GLPBIO
Computed properties PubChem CID 90292823 · XLogP 2.2 · TPSA 78.4 Ų · H-bond donors 1
XLogP
2.2
TPSA
78.4 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
30

SMILES CC(C)N1C(=CC(=N1)C2=CC(=C(N=C2)N)OC(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5

Computed descriptors from PubChem (CID 90292823), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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