Home Stem Cells & Wnt Hedgehog/Smoothened inhibitor MK-4101

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MK-4101 Hedgehog/Smoothened inhibitor

Cat.No.S8200

MK-4101, a potent inhibitor of the Hedgehog pathway, shows anti-tumor activity through the inhibition of proliferation and induction of extensive apoptosis in tumor cells.
MK-4101 Hedgehog/Smoothened inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 493.47

Jump to Mechanism of Action Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: S820001 DMSO]98 mg/mL]false]Ethanol]98 mg/mL]false]Water]Insoluble]false Purity: 99.33%
99.33

Chemical Information, Storage & Stability

Molecular Weight 493.47 Formula

C24H24F5N5O

 Storage (From the date of receipt)
CAS No. 935273-79-3 Download SDF Storage of Stock Solutions

Synonyms N/A Smiles CN1C(=NN=C1C23CCC(CC2)(CC3)C4=NOC(=N4)C5CC(C5)(F)F)C6=CC=CC=C6C(F)(F)F

Solubility

In vitro
Batch:

DMSO : 98 mg/mL (198.59 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 98 mg/mL

Water : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
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In vivo Formulation Calculator (Clear solution)

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Mechanism of Action

Targets/IC50/Ki
SMO [1]
In vitro
MK-4101 inhibits Hh signaling both in a reporter gene assay in an engineered mouse cell line (Gli_Luc) with IC50 = 1.5 µM and in human KYSE180 oesophageal cancer cells with an IC50 = 1 µM. Furthermore, this compound displaced a fluorescently-labeled cyclopamine derivative from 293 cells expressing recombinant human SMO with an IC50 = 1.1 µM. It arrests cells in G1 and G2 phases[1].
In vivo
MK-4101 has robust antitumor activity through the inhibition of proliferation and induction of extensive apoptosis in tumor cells. This compound is highly efficacious against primary medulloblastoma and basal cell carcinoma (BCC) developing in the cerebellum and skin of Ptch1+/- mice. Pharmacokinetics of this chemical shows that it could be administered orally, showing a good bioavailability (F ≥ 87 %) with low-to-moderate plasma clearance in mice and rats. Moreover, it was well absorbed, and mainly excreted into the bile[1].
References

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