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SirReal2

CAT: 0931-T6984-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T6984-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
709002-46-0
Target
Sirtuin
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9975
Bioactivity
SirReal2 is a potent and selective Sirt2 inhibitor with IC50 of 140 nM.
Smiles
Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Molecular Formula
C22H20N4OS2
Molecular Weight
420.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SirReal2
CAS Number709002-46-0
PubChem CID1096292
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
Molecular FormulaC22H20N4OS2
Molecular Weight420.6
XLogP5.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43)C
InChI
InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
InChIKey
MENNDDDTIIZDDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SirReal2
CAS: 709002-46-0
CID: 1096292
Formula: C22H20N4OS2
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass420.10785362
Monoisotopic Mass420.10785362
Topological Polar Surface Area121 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
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

Related Products

CatalogName
T24790-01SirReal-1
T18641-01SirReal1-O-propargyl

Alternative Products

CatalogName
466141-01SirReal2
A15902-5SirReal2 5mg
A15902-2SirReal2 2mg
A15902-100SirReal2 100mg
A15902-10SirReal2 10mg
A15902-1SirReal2 1mg
HY-100591RSirReal2 (Standard)
A15902-50SirReal2 50mg
A15902-25SirReal2 25mg

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