ChemicalBook--->CAS DataBase List--->2230186-18-0

2230186-18-0

2230186-18-0 Structure

2230186-18-0 Structure
IdentificationBack Directory
[Name]

2230186-18-0
[CAS]

2230186-18-0
[Synonyms]

VB124
[Molecular Formula]

C23H23ClN2O4
[MOL File]

2230186-18-0.mol
[Molecular Weight]

426.89
Chemical PropertiesBack Directory
[Boiling point ]

613.1±55.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[form ]

Solid
[pka]

3.56±0.10(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C23H23ClN2O4/c1-23(2,22(27)28)29-14-16-13-21(26(25-16)20-9-4-3-8-19(20)24)15-6-5-7-18(12-15)30-17-10-11-17/h3-9,12-13,17H,10-11,14H2,1-2H3,(H,27,28)
[InChIKey]

PZHRLEZWTVYGMP-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(OCC1C=C(C2=CC=CC(OC3CC3)=C2)N(C2=CC=CC=C2Cl)N=1)(C)C
Spectrum DetailBack Directory
[Spectrum Detail]

2230186-18-0(2230186-18-0)1HNMR
Hazard InformationBack Directory
[Biological Activity]

VB124 is an orally active, potent, and selective MCT4 inhibitor. VB124 can specifically inhibit lactate efflux with IC50s of 8.6 nM and 19 nM for lactate import and export in MDA-MB-231 cells, respectively. VB124 is highly selective for MCT4 over MCT1. VB124 can be used for the research of cardiac hypertrophy, heart failure, and metabolism[1]. VB124 (10 μM) inhibits the cell proliferation of MDA-MB-231 cells, and the cell proliferation rate is less than 50%[1].VB124 is highly selective for MCT4 over MCT1, showing very little MCT1 inhibitory activity (lactate export IC50=24 μM) in MCT1-expressing BT20 cells[1]. VB124 (30 mg/kg; p.o.; daily for 28 days) attenuates isoproterenol-induced cardiac hypertrophy in mice[1].VB124 (30 mg/kg; twice per day for 180 days) has no effect on the body, heart, liver, or lung weight of mice, suggesting no overt toxicities[1].
[References]

[1]. Cluntun AA, et.al. The pyruvate-lactate axis modulates cardiac hypertrophy and heart failure. Cell Metab. 2021 Mar 2;33(3):629-648.e10.
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