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SIRT3 activator 2

CAT: 0804-HY-163987-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-163987-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SIRT3 activator 2 (compound 2a) is a SIRT3 activator. SIRT3 activator 2 improved the thermal stability of SIRT3 in SH-SY5Y cells, indicating that it can directly bind to SIRT3, has SIRT3 dependency in SH-SY5Y to clear α-Syn. SIRT3 activator 2 improves motor function in Parkinson mice, preventing Parkinson (DA) neuron loss in the substantia nigra in a dose-dependent manner[1].
CAS Number
3061491-60-6
UNSPSC
12352005
Target
Sirtuin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sirt3-activator-2.html
Purity
98.94
Solubility
DMSO : 4.93 mg/mL (ultrasonic)
Smiles
CC(CC1(C(N2CCC3=O)=O)CC2=O)(C(N1S(C4=CC(C(OCCCO3)=O)=CC=C4)(=O)=O)=O)C
Molecular Formula
C22H24N2O9S
Molecular Weight
492.50
References & Citations
[1]Tongyu Bi, et al. Ligand-Enabled Pd-Catalyzed sp3 C‒H Macrocyclization: Synthesis and Evaluation of Macrocyclic Sulfonamide for the Treatment of Parkinson's Disease. Angewandte Chemie. 2024 Jul 30:e202412296.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
SIRT3

Chemical Information

SIRT3 activator 2
CAS Number3061491-60-6
PubChem CID175663097
IUPAC Name5,5-dimethyl-2,2-dioxo-14,18-dioxa-2lambda6-thia-3,10-diazatetracyclo[18.3.1.17,10.03,7]pentacosa-1(23),20(24),21-triene-4,9,13,19,25-pentone
Molecular FormulaC22H24N2O9S
Molecular Weight492.5
XLogP0.5
Topological Polar Surface Area153
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity1030
SMILES
CC1(CC23CC(=O)N(C2=O)CCC(=O)OCCCOC(=O)C4=CC(=CC=C4)S(=O)(=O)N3C1=O)C
InChI
InChI=1S/C22H24N2O9S/c1-21(2)13-22-12-16(25)23(20(22)29)8-7-17(26)32-9-4-10-33-18(27)14-5-3-6-15(11-14)34(30,31)24(22)19(21)28/h3,5-6,11H,4,7-10,12-13H2,1-2H3
InChIKey
FDQMGLAVDNTTTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SIRT3 activator 2
CAS: 3061491-60-6
CID: 175663097
Formula: C22H24N2O9S
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass492.12025152
Monoisotopic Mass492.12025152
Topological Polar Surface Area153 Ų
Heavy Atom Count34
Formal Charge0
Complexity1030
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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