Home Epigenetics Epigenetic Reader Domain inhibitor MS436

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MS436 Epigenetic Reader Domain inhibitor

Cat.No.S7305

MS436 is a selective BET bromodomain inhibitor with Ki of <0.085 μM and 0.34 μM for BRD4 (1) and BRD4 (2), respectively.
MS436 Epigenetic Reader Domain inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 383.42

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

Quality Control

Batch: S730501 DMSO]55 mg/mL]false]Ethanol]1 mg/mL]false]Water]Insoluble]false Purity: 99.38%
99.38

Chemical Information, Storage & Stability

Molecular Weight 383.42 Formula

C18H17N5O3S

 Storage (From the date of receipt)
CAS No. 1395084-25-9 Download SDF Storage of Stock Solutions

Synonyms N/A Smiles CC1=CC(=C(C=C1O)N)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

Solubility

In vitro
Batch:

DMSO : 55 mg/mL (143.44 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 1 mg/mL

Water : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
Batch:

In vivo Formulation Calculator (Clear solution)

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Working concentration: mg/ml;

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.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
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Mechanism of Action

Targets/IC50/Ki
BRD4 (1) [1]
<0.085 μM(Ki)
BRD4 (2) [1]
0.34 μM(Ki)
In vitro

MS436 exhibits low nanomolar affinity with preference for the first bromodomain over the second. This compound effectively inhibits BRD4 activity in NF-κB-directed production of nitric oxide and proinflammatory cytokine interleukin-6 in murine macrophages without siginificanty inhibition on cell viability. [1]
Kinase Assay
Fluorescence Anisotropy Binding Assay
Competition experiments are performed with a BrD protein (0.25–1 µM) and the fluorescent probe (80 nM), and increasing concentration of unlabeled competing ligand in a PBS buffer (pH 7.4) in total volume of 80 µL Measurements are obtained after a 1 hour incubation of the fluorescent ligand and the protein at 25°C with Safire 2 microplate reader. In a competition-binding assay, fluorescent ligand concentration is ≤ 2Kd, and protein concentration was set at which 50-80% of fluorescent ligand is bound. Dissociation constant of a competing ligand is calculated with the correction to Cheng-Prussoff equation introduced by Nicolovska-Coleska and colleagues. Assuming one-site competitive binding model, the equation used to calculate Ki’s from IC50 values recovered from fitting data using Prism.
References

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