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Probenecid-d14

CAT: 0804-HY-B0545SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0545SSize:1 mg
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Description
Probenecid-d14 is the deuterium labeled Probenecid. Probenecid is a potent and selective agonist of transient receptor potential vanilloid 2 (TRPV2) channels. Probenecid also inhibits pannexin 1 channels[1][2].
CAS Number
1189657-87-1
UNSPSC
12352005
Hazard Statement
H302
Target
Bacterial; HIV; Isotope-Labeled Compounds; TRP Channel
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel; Neuronal Signaling; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
99.0
Solubility
DMSO : 30 mg/mL (ultrasonic; warming)
Smiles
S(N(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])(=O)(=O)C1=CC=C(C(O)=O)C=C1
Molecular Formula
C13H5D14NO4S
Molecular Weight
299.45
Precautions
P264-P270-P330-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Koch SE, et al. Probenecid: novel use as a non-injurious positive inotrope acting via cardiac TRPV2 stimulation. J Mol Cell Cardiol. 2012 Jul;53 (1) :134-44.|[3]Bakos E, et al. Interactions of the human multidrug resistance proteins MRP1 and MRP2 with organic anions. Mol Pharmacol. 2000 Apr;57 (4) :760-8.|[4]Greene TA, et al. Probenecid inhibits the human bitter taste receptor TAS2R16 and suppresses bitter perception of salicin. PLoS One. 2011;6 (5) :e20123.|[5]Silverman W, et al. Probenecid, a gout remedy, inhibits pannexin 1 channels. Am J Physiol Cell Physiol. 2008 Sep;295 (3) :C761-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Probenecid-d14
CAS Number1189657-87-1
PubChem CID46782784
IUPAC Name4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid
Molecular FormulaC13H19NO4S
Molecular Weight299.45
XLogP3.2
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity374
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)/i1D3,2D3,3D2,4D2,9D2,10D2
InChIKey
DBABZHXKTCFAPX-YTSTUSJFSA-N
Chemical Structure
2D Structure
2D structure of Probenecid-d14
CAS: 1189657-87-1
CID: 46782784
Formula: C13H19NO4S
MW: 299.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.45
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass299.19135370
Monoisotopic Mass299.19135370
Topological Polar Surface Area83.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity374
Isotope Atom Count14
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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