[CAS NO. 2445185-57-7] MSC-4381
PRODUCTS SPECIFICATIONS [2445185-57-7]
DESCRIPTION [2445185-57-7]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 537.97 |
| Molecular Formula | C26H20ClN3O6S |
| SMILES | O=C(C1=NC=C(C#CC2=CC(Cl)=CC=C2NS(=O)(C3=C4N=CC=CC4=C(OCC)C=C3)=O)C(OC)=C1)O |
Summary
MSC-4381 (MCT4-IN-1) is an orally active and selective monocarboxylate transporter 4 (MCT4/SLC16A3) inhibitor with an IC 50 of 77 nM and a K i of 11 nM. MSC-4381 targets to the cytosolic domain of MCT4 . MSC-4381 results in lactate efflux inhibition and reduction of cellular viability in MCT4 high expressing cells. MSC-4381 has the potential for MCT4 transporter inhibition research [1] .
IC50 & Target
|
MCT4 77 nM (IC 50 ) |
MCT4 11 nM (Ki) |
In Vitro
MSC-4381 (compound 18n) inhibits lactate efflux in the MDA-MB-231 cell line with an IC
50
of 1 nM. The on-target activity is confirmed with a K
i
of 11 nM by fluorescence cross-correlation spectroscopy (FCCS)
[1]
.
MSC-4381 does not inhibit lactate efflux to a similar extent in SNU-398 and MiaPaca2, and only 600-fold less in RT-4 cell lines
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
MSC-4381 (compound 18n; 30 mg/kg; PO; single dose) only combined with MCT1/2 inhibitor exhibits a significant tumoral intracellular lactate accumulation
[1]
.
MSC-4381 (30 mg/kg/day; for 15 days) shows no significant antitumor activity
[1]
.
MSC-4381 (0.2 mg/kg; iv) has a T
1/2
of 1 hours, a CL of 0.33 L/h•kg, a C
max
of 489 ng/mL and a V
ss
of 0.4 L/kg for mice
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Animal Model: | MC38 tumor-bearing C57/BL6 mice [1] |
| Dosage: | 30 mg/kg |
| Administration: | PO; single dose |
| Result: | Only combined with MCT1/2 inhibitor exhibited a significant tumoral intracellular lactate accumulation. |
| Animal Model: | Mice [1] |
| Dosage: | 0.2 mg/kg (Pharmacokinetic Analysis) |
| Administration: | IV |
| Result: | Had a T 1/2 of 1 hours, a CL of 0.33 L/h•kg, a C max of 489 ng/mL and a V ss of 0.4 L/kg for mice. |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 83.33 mg/mL ( 154.90 mM ; ultrasonic and warming and heat to 60°C)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.8588 mL | 9.2942 mL | 18.5884 mL |
| 5 mM | 0.3718 mL | 1.8588 mL | 3.7177 mL |
| 10 mM | 0.1859 mL | 0.9294 mL | 1.8588 mL |
-
1.