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SIRT2-IN-10

CAT: 0931-T63102-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63102-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
296793-09-4
Target
Others, Sirtuin
Related Pathways
Chromatin/Epigenetic, Others, DNA Damage/DNA Repair
Bioactivity
SIRT2-IN-10 (Compound 12) is a potent SIRT2 inhibitor (IC50: 1.3 μM) useful for cancer and neurodegenerative disease research.
Smiles
C(N1C=2C(C=3C1=CC=CC3)=NN=C(SCC(NC=4C5=C(C=CC4)C=CC=C5)=O)N2)C6=CC=CC=C6
Molecular Formula
C28H21N5OS
Molecular Weight
475.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CAS Number296793-09-4
PubChem CID6406930
IUPAC Name2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Molecular FormulaC28H21N5OS
Molecular Weight475.6
XLogP5.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity717
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)NC5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C28H21N5OS/c34-25(29-23-15-8-12-20-11-4-5-13-21(20)23)18-35-28-30-27-26(31-32-28)22-14-6-7-16-24(22)33(27)17-19-9-2-1-3-10-19/h1-16H,17-18H2,(H,29,34)
InChIKey
FFKNCUAKAKYMOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CAS: 296793-09-4
CID: 6406930
Formula: C28H21N5OS
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass475.14668148
Monoisotopic Mass475.14668148
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity717
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