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Sirtuin modulator 9

CAT: 0804-HY-167711Size: 1 EachDry Ice: NoHazardous: No
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Description
Sirtuin modulator 9 (Compound 214) is a sirtuin-modulating compound that may be used to increase lifespan of cells and in diseases related to aging, inflammation and cancer as well as diseases that would benefit from increased mitochondrial activity[1].
CAS Number
863589-28-0
UNSPSC
12352005
Target
Mitochondrial Metabolism
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease; Inflammation/Immunology
Smiles
O=C(C1=C(OC)C(OC)=CC=C1)NC2=CC=CC(C3=NC4=CC=CN=C4S3)=C2
Molecular Formula
C21H17N3O3S
Molecular Weight
391.44
References & Citations
[1]Joseph J. Nunes, et al., Benzimidazole derivatives as sirtuin modulators. WO2007019416A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2,3-dimethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CAS Number863589-28-0
PubChem CID5167172
IUPAC Name2,3-dimethoxy-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
Molecular FormulaC21H17N3O3S
Molecular Weight391.4
XLogP4.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity537
SMILES
COC1=CC=CC(=C1OC)C(=O)NC2=CC=CC(=C2)C3=NC4=C(S3)N=CC=C4
InChI
InChI=1S/C21H17N3O3S/c1-26-17-10-4-8-15(18(17)27-2)19(25)23-14-7-3-6-13(12-14)20-24-16-9-5-11-22-21(16)28-20/h3-12H,1-2H3,(H,23,25)
InChIKey
DMJLHZVNXCGZMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-dimethoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)benzamide
CAS: 863589-28-0
CID: 5167172
Formula: C21H17N3O3S
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass391.09906259
Monoisotopic Mass391.09906259
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity537
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

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