Products for Research Use Only

Sirt1/2-IN-3

CAT: 0013-GTR19230447-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230447-01Size:50 mg
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Description
Sirt1/2-IN-3 is a dual SIRT1/2 inhibitor (IC50: 1.4 μM and 2.0 μM) that increases acetylation of p53 and α-tubulin, blocking deacetylation. It induces apoptosis and shows antiproliferative activity in human leukemia cell lines in vitro, supporting its use in oncology and epigenetics research.
CAS Number
301313-42-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
COC1=CC=C (C=C1) S (=O) (=O) NC1=C2C=CC=CC2=C (O) C (Cl) =C1
Molecular Formula
C17H14ClNO4S
Molecular Weight
363.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sirt1/2-IN-3
CAS Number301313-42-8
PubChem CID1183798
IUPAC NameN-(3-chloro-4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
Molecular FormulaC17H14ClNO4S
Molecular Weight363.8
XLogP3.9
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity515
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)Cl
InChI
InChI=1S/C17H14ClNO4S/c1-23-11-6-8-12(9-7-11)24(21,22)19-16-10-15(18)17(20)14-5-3-2-4-13(14)16/h2-10,19-20H,1H3
InChIKey
PBHNALRVEVSVQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sirt1/2-IN-3
CAS: 301313-42-8
CID: 1183798
Formula: C17H14ClNO4S
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass363.0332068
Monoisotopic Mass363.0332068
Topological Polar Surface Area84 Ų
Heavy Atom Count24
Formal Charge0
Complexity515
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