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Flufenamic Acid-d4

CAT: 0931-T71303-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T71303-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185071-99-1
Target
Parasite, AMPK, COX, Potassium Channel, Chloride channel, Calcium Channel
Related Pathways
Metabolism, Chromatin/Epigenetic, Neuroscience, PI3K/Akt/mTOR signaling, Microbiology/Virology, Immunology/Inflammation, Membrane transporter/Ion channel
Bioactivity
Flufenamic acid-d4 is intended for use as an internal standard for the quantification of flufenamic acid by GC- or LC-MS. Flufenamic acid is a non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor (IC50s = 3 and 9.3 μM for human COX-1 and COX-2, respectively) . Flufenamic acid inhibits TNF-α-induced increases in COX-2 levels and NF-κB activation in HT-29 colon cancer cells in a concentration-dependent manner. It inhibits calcium influx induced by fMLP or A23187 in human polymorphonuclear leukocytes (PMN) with IC50 values of 29 and 14 μM, respectively. Flufenamic acid also activates various ion channels, including transient receptor potential canonical 6 (TRPC6) and the large-conductance calcium-activated potassium channel (KCa1.1) . It also inhibits various ion channels, including TRPC3 and the cystic fibrosis transmembrane conductance regulator (CFTR) . Flufenamic acid (20 mg/kg) reduces increases in intestinal fluid secretion and intestinal barrier disruption in mice ......
Smiles
N(C1=C(C(O)=O)C(=C(C(=C1[2H])[2H])[2H])[2H])C2=CC(C(F)(F)F)=CC=C2
Molecular Formula
C14H6D4F3NO2
Molecular Weight
285.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flufenamic Acid-d4
CAS Number1185071-99-1
PubChem CID46781596
IUPAC Name2,3,4,5-tetradeuterio-6-[3-(trifluoromethyl)anilino]benzoic acid
Molecular FormulaC14H10F3NO2
Molecular Weight285.25
XLogP5.2
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=CC=CC(=C2)C(F)(F)F)[2H])[2H]
InChI
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/i1D,2D,6D,7D
InChIKey
LPEPZBJOKDYZAD-ZEJCXXMWSA-N
Chemical Structure
2D Structure
2D structure of Flufenamic Acid-d4
CAS: 1185071-99-1
CID: 46781596
Formula: C14H10F3NO2
MW: 285.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.25
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass285.09147003
Monoisotopic Mass285.09147003
Topological Polar Surface Area49.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
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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KXB07199-01Flufenamic acid-d4
MBS6074337-01Flufenamic Acid

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