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Nicotinamide-15N,13C3

CAT: 0804-HY-B0150S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0150S1Size:1 mg
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Description
Nicotinamide-15N,13C3 is the 13C-labeled and 15N-labeled Nicotinamide. Nicotinamide is a form of vitamin B3 that plays essential roles in cell physiology through facilitating NAD+ redox homeostasis and providing NAD+ as a substrate to a class of enzymes that catalyze non-redox reactions. Nicotinamide is an inhibitor of SIRT1.
CAS Number
2117346-85-5
Product Name Alternative
Niacinamide-15N,13C3; Nicotinic acid amide-15N,13C3
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds; Sirtuin
Type
Isotope-Labeled Compounds
Related Pathways
Cell Cycle/DNA Damage; Epigenetics; Metabolic Enzyme/Protease; Others
Field of Research
Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/nicotinamide-15n-13c3.html
Solubility
10 mM in DMSO
Smiles
N[13C](C1=[13CH][15N]=[13CH]C=C1)=O
Molecular Formula
C3 13C3H6N 15NO
Molecular Weight
126.10
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Bhansali SG, et al. Nicotinamide prevents apoptosis in human cortical neuronal cells. Toxicol Mech Methods. 2006;16 (4) :173-80.|[3]Peck B, et al. SIRT inhibitors induce cell death and p53 acetylation through targeting both SIRT1 and SIRT2. Mol Cancer Ther. 2010 Apr;9 (4) :844-55.|[4]Fushima T, et al. Nicotinamide ameliorates a preeclampsia-like condition in mice with reduced uterine perfusion pressure. Am J Physiol Renal Physiol. 2016 Dec 7:ajprenal.00501.2016|[5]Roslan J, et al. Quercetin ameliorates oxidative stress, inflammation and apoptosis in the heart of streptozotocin-nicotinamide-induced adult male diabetic rats. Biomed Pharmacother. 2016 Dec 24;86:570-582|[6]Suzuki E, et al. Protective effect of nicotinamide against poly (ADP-ribose) polymerase-1-mediated astrocyte death depends on its transporter-mediated uptake. Life Sci. 2010 Apr 24;86 (17-18) :676-82.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nicotinamide-15N,13C3
CAS Number2117346-85-5
PubChem CID124203111
IUPAC Name(2,6-13C2,115N)pyridine-3-carboxamide
Molecular FormulaC6H6N2O
Molecular Weight126.10
XLogP-0.4
Topological Polar Surface Area56
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1=CC(=[13CH][15N]=[13CH]1)[13C](=O)N
InChI
InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i3+1,4+1,6+1,8+1
InChIKey
DFPAKSUCGFBDDF-DNUYGDBSSA-N
Chemical Structure
2D Structure
2D structure of Nicotinamide-15N,13C3
CAS: 2117346-85-5
CID: 124203111
Formula: C6H6N2O
MW: 126.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.10
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.05511222
Monoisotopic Mass126.05511222
Topological Polar Surface Area56 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count4
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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