DLK-IN-1 | CAS 1620574-24-4 | AnyMole

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HIT212667107

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HIT212667107

HIT ID:HIT212667107
Cas No:1620574-24-4
常用名:DLK-IN-1
IUPAC:5-{5-[(1R,5S,6S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethoxy)pyridin-2-amine
IUPAC:5-{5-[(1R,5S,6S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethoxy)pyridin-2-amine
InChI key:UHEFRVBGJORHNV-UOIKSKOESA-N

分子式:C20H24F3N5O2
分子量:423.44
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.7350445
SMILES:[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1
SMILES:[H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1

DLK-IN-1 is a selective oral active inhibitor of bisleucine zipper kinase (DLK, MAP3K12) with Ki of 3 nM. DLK-IN-1 is active in the Alzheimer's disease model, retains excellent CNS permeability, and after multiple days of administration, its concentration exceeds the concentration required for DLK inhibition in the brain, so it has good tolerance Acceptability.

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