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ChemicalBook--->CAS DataBase List--->2096992-20-8

2096992-20-8

2096992-20-8 Structure

2096992-20-8 Structure
IdentificationBack Directory
[Name]

MELK-8a (hydrochloride)
[CAS]

2096992-20-8
[Synonyms]

MELK-8a (hydrochloride)
NVP-MELK8a hydrochloride
[Molecular Formula]

C??H??ClN?O
[MDL Number]

MFCD30718179
[MOL File]

2096992-20-8.mol
[Molecular Weight]

469.03
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMF: insol; DMSO: insol; Ethanol: insol; PBS (pH 7.2): 1 mg/ml
[form ]

A solid
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Biological Activity]

MELK-8a hydrochloride is a novel inhibitor of maternal embryonic leucine zipper kinase (MELK) with IC50 of 2 nM.
[in vivo]

MELK-8a remains very potent (IC 50 =140 nM) when the ATP concentration in the biochemical assay is shifted from 20 μM to 2 mM. Its potency is well tracked between full -length MELK versus catalytic domain construct (5 nM versus 2 nM). It only inhibits seven off-target kinases in addition to MELK with >85% inhibition of binding at 1 μM demonstrating great selectivity. The compound is at least 90-fold more selective in targeting MELK in all cases. MELK-8a is fairly soluble (0.22 g/L at pH 6.8) and shows a good permeability in the Caco-2 assay. MELK-8a inhibits the growth of MDA-MB-468 cells and MCF-7 cells with an IC 50 of approximately 0.06 and 1.2 μM, respectively.

[in vivo]

Subcutaneous administration of MELK-8a at 30 mg/kg in C57BL/6 mice results in good plasma exposure. The compound adsorption into the systemic circulation is rapid (T max =0.4 h ) and peak plasma concentration reaches 6.6 μM. An ascending dose PK study in female athymic nude mice shows that the rate of compound release is maximal at 120 mg/kg and all clearance mechanisms can be saturated at 240 mg/kg. However, when administered orally at 10 mg/kg in C57BL/6 male mice, it shows very poor PK (3.6% oral bioavailability) consistent with very high in vivo clearance.

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[target]

IC50: 2 nM (MELK)

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