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Sirtuin modulator 3

CAT: 0804-HY-Q49697-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Q49697-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sirtuin modulator 3 (compound 129) is a N-phenyl benzamide derivative, acts as a sirtuin modulator[1].
CAS Number
708995-11-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Sirtuin
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sirtuin-modulator-3.html
Purity
99.32
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
C12C=C(C=CN1C=C(C1=CC=CC(=C1)NC(=O)C1C=C(OC)C(OC)=C(OC)C=1)N=2)C
Molecular Formula
C24H23N3O4
Molecular Weight
417.46
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Milburn Michael, et al. Preparation of N-phenyl benzamide derivatives as sirtuin modulators: World Intellectual Property Organization, WO2006094236[P]. 2006-09-08.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Dedicated for Diverse Library
Clinical Information
No Development Reported

Chemical Information

3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CAS Number708995-11-3
PubChem CID983446
IUPAC Name3,4,5-trimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
Molecular FormulaC24H23N3O4
Molecular Weight417.5
XLogP4.5
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity591
SMILES
CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H23N3O4/c1-15-8-9-27-14-19(26-22(27)10-15)16-6-5-7-18(11-16)25-24(28)17-12-20(29-2)23(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)
InChIKey
ZCNAQCKPWWPHDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CAS: 708995-11-3
CID: 983446
Formula: C24H23N3O4
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass417.16885622
Monoisotopic Mass417.16885622
Topological Polar Surface Area74.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity591
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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