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Hsa62

CAT: 0931-T88151-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T88151-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
780822-35-7
Target
Sirtuin
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Bioactivity
Hsa62 is an inhibitor of SIRT1 and SIRT2, with IC50 values of 1.3 μM and 5.5 μM, respectively.
Smiles
O=C1NC2=CC=C(C=C2N1)S(=O)(=O)NC3=CC(SC4=NN=CN4)=C(O)C=5C=CC=CC35
Molecular Formula
C19H14N6O4S2
Molecular Weight
454.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CAS Number780822-35-7
PubChem CID1631806
IUPAC NameN-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
Molecular FormulaC19H14N6O4S2
Molecular Weight454.5
XLogP2.4
Topological Polar Surface Area183
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity780
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)SC3=NC=NN3)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5
InChI
InChI=1S/C19H14N6O4S2/c26-17-12-4-2-1-3-11(12)14(8-16(17)30-19-20-9-21-24-19)25-31(28,29)10-5-6-13-15(7-10)23-18(27)22-13/h1-9,25-26H,(H,20,21,24)(H2,22,23,27)
InChIKey
HIRCXSRPNGMCML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CAS: 780822-35-7
CID: 1631806
Formula: C19H14N6O4S2
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass454.05179530
Monoisotopic Mass454.05179530
Topological Polar Surface Area183 Ų
Heavy Atom Count31
Formal Charge0
Complexity780
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

Alternative Products

CatalogName
HY-160944Hsa62

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