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Sulfanitran-13C6

CAT: 0804-HY-B0947S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0947S1-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sulfanitran-13C6 is the 13C labeled Sulfanitran. Sulfanitran is an antibacterial and anticoccidial agent used in poultry feeds. Sulfanitran also is a multidrug resistance protein 2 (MRP2) stimulator that can increase the affinity of MRP2 for estradiol-17-β-D-glucuronide (E217βG) .
CAS Number
1353867-79-4
UNSPSC
12352005
Target
Bacterial; P-glycoprotein
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/sulfanitran-13c6.html
Solubility
10 mM in DMSO
Smiles
O=S(NC1=CC=C(C=C1)[N+]([O-])=O)([13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)NC(C)=O)=O
Molecular Formula
C8 13C6H13N3O5S
Molecular Weight
341.29
References & Citations
[1]Eaves KL, et, al. High pressure liquid chromatographic determination of sulfanitran and dinsed in medicated feeds and premixes. J Assoc Off Anal Chem. 1977 Sep;60 (5) :1064-6.|[2]Zelcer N, et, al. Evidence for two interacting ligand binding sites in human multidrug resistance protein 2 (ATP binding cassette C2) . J Biol Chem. 2003 Jun 27;278 (26) :23538-44.|[3]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sulfanitran-13C6
CAS Number1353867-79-4
PubChem CID71312604
IUPAC NameN-[4-[(4-nitrophenyl)sulfamoyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]acetamide
Molecular FormulaC14H13N3O5S
Molecular Weight341.29
XLogP2
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity524
SMILES
CC(=O)N[13C]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)/i4+1,5+1,8+1,9+1,11+1,14+1
InChIKey
GWBPFRGXNGPPMF-BWWUJVEXSA-N
Chemical Structure
2D Structure
2D structure of Sulfanitran-13C6
CAS: 1353867-79-4
CID: 71312604
Formula: C14H13N3O5S
MW: 341.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass341.07772071
Monoisotopic Mass341.07772071
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity524
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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