| Identification | Back Directory | [Name]
2-Pyridinecarboxylic acid, 5-[2-[5-chloro-2-[[(5-ethoxy-8-quinolinyl)sulfonyl]amino]phenyl]ethynyl]-4-methoxy- | [CAS]
2445185-57-7 | [Synonyms]
MCT4-IN-1
2-Pyridinecarboxylic acid, 5-[2-[5-chloro-2-[[(5-ethoxy-8-quinolinyl)sulfonyl]amino]phenyl]ethynyl]-4-methoxy- | [Molecular Formula]
C26H20ClN3O6S | [MDL Number]
MFCD34567344 | [MOL File]
2445185-57-7.mol | [Molecular Weight]
537.97 |
| Chemical Properties | Back Directory | [Boiling point ]
779.1±70.0 °C(Predicted) | [density ]
1.53±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
0.85±0.50(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Biological Activity]
MCT4-IN-1 is an orally active and selective monocarboxylate transporter 4 (MCT4/SLC16A3) inhibitor with an IC50 of 77 nM and a Ki of 11 nM. MCT4-IN-1 targets to the cytosolic domain of MCT4. MCT4-IN-1 results in lactate efflux inhibition and reduction of cellular viability in MCT4 high expressing cells. MCT4-IN-1 has the potential for MCT4 transporter inhibition research[1].
MCT4-IN-1 (compound 18n) inhibits lactate efflux in the MDA-MB-231 cell line with an IC50 of 1 nM. The on-target activity is confirmed with a Ki of 11 nM by fluorescence cross-correlation spectroscopy (FCCS)[1]. MCT4-IN-1 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].
MCT4-IN-1 (compound 18n; 30 mg/kg; PO; single dose) only combined with MCT1/2 inhibitor exhibits a significant tumoral intracellular lactate accumulation[1]. MCT4-IN-1 (30 mg/kg/day; for 15 days) shows no significant antitumor activity[1]. MCT4-IN-1 (0.2 mg/kg; iv) has a T1/2 of 1 hours, a CL of 0.33 L/h?kg, a Cmax of 489 ng/mL and a Vss of 0.4 L/kg for mice[1]. | [References]
[1]. Timo Heinrich, et al. Discovery of 5-{2-[5-Chloro-2-(5-ethoxyquinoline-8-sulfonamido)phenyl]ethynyl}-4-methoxypyridine-2-carboxylic Acid, a Highly Selective in Vivo Useable Chemical Probe to Dissect MCT4 Biology. J Med Chem. 2021 Aug 26;64(16):11904-11933. |
|
|