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MDL-800

CAT: 0931-T64529-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T64529-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2275619-53-7
Target
Sirtuin
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
>99.99%
Bioactivity
MDL-800 is a SIRT6 modulator with antitumor activity for the study of hepatocellular carcinoma and non-small cell lung cancer.
Smiles
COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C
Molecular Formula
C21H16BrCl2FN2O6S2
Molecular Weight
626.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mdl-800

SIRT6 activator

CAS Number2275619-53-7
PubChem CID134717374
IUPAC Namemethyl 2-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]-5-[(3,5-dichlorophenyl)sulfonylamino]benzoate
Molecular FormulaC21H16BrCl2FN2O6S2
Molecular Weight626.3
XLogP5.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity954
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
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
InChIKey
FKFQBYBODAKGOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdl-800
CAS: 2275619-53-7
CID: 134717374
Formula: C21H16BrCl2FN2O6S2
MW: 626.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.3
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass623.89942
Monoisotopic Mass623.89942
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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565267MDL-800
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A17228-10MDL-800 10mg
A17228-500MDL-800 500mg
A17228-50MDL-800 50mg
A17228-25MDL-800 25mg
A17228-1MDL-800 1mg
A17228-100MDL-800 100mg
A17228-5MDL-800 5mg

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