MDL 800 is an allosteric activator of sirtuin 6 (SIRT6). In cell-free assays, it selectively activated SIRT6 deacetylase activity (exceeding SIRT1-5 and -7 and histone deacetylase 1 (HDAC1) and HDAC2-11 deacetylase activity) at concentrations of 100 µM. It induces histone deacetylation and reduces proliferation of BEL-7405 hepatocellular carcinoma (HCC) cells with an EC50 of 90.4 µM.

 

Brand: BCM

 

Boiling Point: 714.8±70.0 °C(Predicted)

 

Solubility: Soluble in DMSO; soluble in Ethanol. Insoluble in Water.

 

pKa: 4.96±0.10(Predicted)

 

GHS: GHS07

 

Isomeric SMILES: CC1=CC(=C(C=C1NS(=O)(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)OC)Br)F  

 

InChIKey: FKFQBYBODAKGOA-UHFFFAOYSA-N  

 

InChI: InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3

 

Attribute
[Chem Name]	methyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate
[Synonym]	MDL 800; MDL-800; MDL800
[CAS No.]	2275619-53-7
[MDL No.]	MFCD31813709
[Formula]	C21H16BrCl2FN2O6S2
[Molecular]	626.3
[Form]	White solid
[Storage]	Keep in dark place. Sealed in dry. Room Temperature

Goods Tag