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Sirt1/2-IN-2

CAT: 0931-T79563-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T79563-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
670267-73-9
Target
Apoptosis, Sirtuin
Related Pathways
Apoptosis, Chromatin/Epigenetic, DNA Damage/DNA Repair
Bioactivity
Sirt1/2-IN-2 (compound hsa55) is a dual inhibitor, targeting SIRT1 with an IC50 of 1.8 μM and SIRT2 with an IC50 of 2.4 μM. It effectively inhibits p53 deacetylation while enhancing the acetylation of p53 and α-tubulin, promoting apoptosis and exhibiting anti-proliferative effects on human leukemia cell lines [1].
Smiles
N(S(=O)(=O)C1=CC=CC=C1)C=2C3=C(C(O)=C(SC=4NC=NN4)C2)C=CC=C3
Molecular Formula
C18H14N4O3S2
Molecular Weight
398.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
CAS Number670267-73-9
PubChem CID2133777
IUPAC NameN-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
Molecular FormulaC18H14N4O3S2
Molecular Weight398.5
XLogP3.8
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity594
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=NC=NN4
InChI
InChI=1S/C18H14N4O3S2/c23-17-14-9-5-4-8-13(14)15(10-16(17)26-18-19-11-20-21-18)22-27(24,25)12-6-2-1-3-7-12/h1-11,22-23H,(H,19,20,21)
InChIKey
DIHWMXSCKBJTOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]benzenesulfonamide
CAS: 670267-73-9
CID: 2133777
Formula: C18H14N4O3S2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass398.05073267
Monoisotopic Mass398.05073267
Topological Polar Surface Area142 Ų
Heavy Atom Count27
Formal Charge0
Complexity594
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