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Sirt1/2-IN-1

CAT: 0931-T62240-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62240-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2402779-21-7
Target
Others, Sirtuin, Microtubule Associated
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair, Cytoskeletal Signaling, Others
Bioactivity
Sirt1/2-IN-1 (Compound 7) is an inhibitor of SIRT1 and SIRT2, with IC50 values of 1.81 μg/mL for SIRT1, 2.10 μg/mL for SIRT2, and 20.5 μg/mL for SIRT3, and exhibits α-microtubulin hyperacetylation activity, demonstrating significant anticancer effects.
Smiles
O=C1N2C(C3=C(C=4C(S3)=CC=C(Cl)C4)N=C2SC1)C5=CC6=C(C=C5)C=CC=C6
Molecular Formula
C22H13ClN2OS2
Molecular Weight
420.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sirt1/2-IN-1
CAS Number2402779-21-7
PubChem CID155550829
IUPAC Name4-chloro-10-naphthalen-2-yl-8,14-dithia-11,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-12-one
Molecular FormulaC22H13ClN2OS2
Molecular Weight420.9
XLogP6.1
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity687
SMILES
C1C(=O)N2C(C3=C(C4=C(S3)C=CC(=C4)Cl)N=C2S1)C5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C22H13ClN2OS2/c23-15-7-8-17-16(10-15)19-21(28-17)20(25-18(26)11-27-22(25)24-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,20H,11H2
InChIKey
VPROVJRQLOASRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sirt1/2-IN-1
CAS: 2402779-21-7
CID: 155550829
Formula: C22H13ClN2OS2
MW: 420.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.9
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass420.0157831
Monoisotopic Mass420.0157831
Topological Polar Surface Area86.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-146013Sirt1/2-IN-1
MBS5816828SIRT1/2/3-IN-1
HY-146689-01SIRT1-IN-2
HY-136199-01SIRT1-IN-1
MBS5821225Sirt1/2-IN-2
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HY-155729Sirt1/2-IN-4

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