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Tolfenamic acid-13C6

CAT: 0804-HY-B0335S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0335S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tolfenamic acid-13C6 is the 13C6 labeled Tolfenamic acid. Tolfenamic Acid (GEA 6414) is a non-steroidal anti-inflammatory and anti-cancer agent, selectively inhibits COX-2, with an IC50 of 13.49 μM (3.53 μg/mL) in LPS-treated (COX-2) canine DH82 monocyte/macrophage cells, but shows no effect on COX-1.
CAS Number
1420043-61-3
Product Name Alternative
GEA 6414-13C6
UNSPSC
12352005
Hazard Statement
H301
Target
COX; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/tolfenamic-acid-13c6.html
Purity
99.7
Solubility
10 mM in DMSO
Smiles
OC([13C]([13CH]=[13CH][13CH]=[13CH]1)=[13C]1NC2=C(C(Cl)=CC=C2)C)=O
Molecular Formula
C8 13C6H12ClNO2
Molecular Weight
267.66
Precautions
H301
References & Citations
[1]Kay-Mugford P, et al. In vitro effects of nonsteroidal anti-inflammatory drugs on cyclooxygenase activity in dogs. Am J Vet Res. 2000 Jul;61 (7) :802-10.|[2]Maliakal P, et al. Chemopreventive effects of tolfenamic acid against esophageal tumorigenesis in rats. Invest New Drugs. 2012 Jun;30 (3) :853-61.|[3]Sankpal UT, et al. Tolfenamic acid-induced alterations in genes and pathways in pancreatic cancer cells. Oncotarget. 2017 Feb 28;8 (9) :14593-14603|[4]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Tolfenamic Acid-13C6
CAS Number1420043-61-3
PubChem CID76974678
IUPAC Name6-(3-chloro-2-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Molecular FormulaC14H12ClNO2
Molecular Weight267.66
XLogP5.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity298
SMILES
CC1=C(C=CC=C1Cl)N[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]2C(=O)O
InChI
InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)/i2+1,3+1,5+1,7+1,10+1,13+1
InChIKey
YEZNLOUZAIOMLT-CDLMHYHCSA-N
Chemical Structure
2D Structure
2D structure of Tolfenamic Acid-13C6
CAS: 1420043-61-3
CID: 76974678
Formula: C14H12ClNO2
MW: 267.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.66
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass267.0757853
Monoisotopic Mass267.0757853
Topological Polar Surface Area49.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity298
Isotope Atom Count6
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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