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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
MCT4-IN-1 targets monocarboxylate transporter 4 (MCT4/SLC16A3). MCT4 is responsible for the efflux of lactate from cells, a critical process in cancer metabolism. Inhibition of MCT4 leads to intracellular accumulation of lactate, acidification, and reduced cell viability in MCT4-dependent cancer cells. The compound has an IC50 of 77 nM and a Ki of 11 nM.
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| ln Vitro |
Compound 18n, MSC-4381, has an IC50 of 1 nM and suppresses intermittent disruption in the MDA-MB-231 cell line. By using fluorescence cross-correlation spectroscopy (FCCS) with a Ki of 11 nM, activation was verified [1]. Only 600 times less MSC-4381's peak disruption inhibition was seen in the RT-4 cell line compared to SNU-398 and MiaPaca2 [1].
In vitro, MCT4-IN-1 is a potent and selective inhibitor of MCT4 with an IC50 of 77 nM and a Ki of 11 nM. It results in lactate efflux inhibition and reduction of cellular viability in MCT4 high expressing cells. It targets the cytosolic domain of MCT4. |
| ln Vivo |
MSC-4381 (Compound 18n; 30 mg/kg; trauma single dose) demonstrated significant intratumor cell accumulation only when paired with the MCT1/2 pair [1]. MSC-4381 (30 mg/kg/day; MSC-4381 (0.2 mg/kg; iv) has a T1/2 of 1 hour, a CL of 0.33 L/h kg, and a Cmax of 489 ng/mL for 15 days) Not available Displays substantial anti-tumor efficacy [1].
In vivo, MCT4-IN-1 is orally active and has potential for MCT4 transporter inhibition research. It has potential anticancer antitumor activity and may be used to study osteosarcoma. |
| Enzyme Assay |
The in vitro transporter inhibition assay for MCT4-IN-1 involves measuring lactate transport in cells expressing MCT4. The IC50 and Ki values are determined by quantifying the reduction in lactate efflux or uptake. Radiolabeled or fluorescent lactate analogs may be used.
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| Cell Assay |
In vitro cell-based assays for MCT4-IN-1 involve treating MCT4 high expressing cancer cells with the compound and assessing cell viability, lactate levels, and intracellular pH. The compound’s effects on cell proliferation and survival are evaluated.
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| Animal Protocol |
Animal/Disease Models: MC38 tumor-bearing C57/BL6 black mouse[1]
Doses: 30 mg/kg Route of Administration: PO; Vss in mice is 0.4 L/kg[1]. Single dose Experimental Results: Only combination with MCT1/2 inhibitors demonstrated significant lactate accumulation in tumor cells. Animal/Disease Models: Mouse[1] Doses: 0.2 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: intravenous (iv) (iv)injection Experimental Results: T1/2 is 1 hour, CL is 0.33 L/h·kg, Cmax is 489 ng/ mL, Vss for mice is 0.4 L/kg. In vivo animal studies for MCT4-IN-1 would involve xenograft mouse models of cancer, such as osteosarcoma. Tumor-bearing mice would be treated orally with the compound, and tumor growth inhibition would be monitored. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of MCT4-IN-1 are not detailed in the provided literature. The compound is orally active.
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| Toxicity/Toxicokinetics |
No specific toxicity data for MCT4-IN-1 are available in the provided literature. The compound is for research use only.
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| References | |
| Additional Infomation |
MCT4-IN-1 is an orally active, selective MCT4 inhibitor. It has an IC50 of 77 nM and a Ki of 11 nM. It is being studied for cancer, including osteosarcoma. It is for research use only. Its CAS number is 2445185-57-7.
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| Molecular Formula |
C26H20CLN3O6S
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|---|---|
| Molecular Weight |
537.97
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| Exact Mass |
537.076
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| CAS # |
2445185-57-7
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| PubChem CID |
150189198
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| Appearance |
White to yellow solid powder
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| LogP |
4.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
962
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1=C2C(N=CC=C2)=C(S(=O)(=O)NC2C=CC(=CC=2C#CC2C(OC)=CC(=NC=2)C(O)=O)Cl)C=C1)CC
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| InChi Key |
FNBUZGRPJLEIMO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32)
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| Chemical Name |
5-[2-[5-chloro-2-[(5-ethoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-methoxypyridine-2-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~83.33 mg/mL (~154.90 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 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 |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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