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Nifuroxazide-d4

CAT: 0804-HY-B1436S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1436S-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nifuroxazide-d4 is the deuterium labeled Nifuroxazide. Nifuroxazide is an effective inhibitor of STAT3, also exerts potent anti-tumor and anti-metastasis activity.
CAS Number
1188487-83-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds; STAT
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; JAK/STAT Signaling; Others; Stem Cell/Wnt
Field of Research
Cancer; Infection
Solubility
10 mM in DMSO
Smiles
O=C(C1=C([2H])C([2H])=C(C([2H])=C1[2H])O)N/N=C/C2=CC=C([N+]([O-])=O)O2
Molecular Formula
C12H5D4N3O5
Molecular Weight
279.24
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-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]Nelson EA, et al. Nifuroxazide inhibits survival of multiple myeloma cells by directly inhibiting STAT3. Blood. 2008 Dec 15;112 (13) :5095-102.|[3]Zhu Y, et al. Nifuroxazide exerts potent anti-tumor and anti-metastasis activity in melanoma. Sci Rep. 2016 Feb 2;6:20253.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Nifuroxazide-d4
CAS Number1188487-83-3
PubChem CID45359048
IUPAC Name2,3,5,6-tetradeuterio-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular FormulaC12H9N3O5
Molecular Weight279.24
XLogP2.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity387
SMILES
[2H]C1=C(C(=C(C(=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])[2H])[2H])O)[2H]
InChI
InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+/i1D,2D,3D,4D
InChIKey
YCWSUKQGVSGXJO-WNGOOFDKSA-N
Chemical Structure
2D Structure
2D structure of Nifuroxazide-d4
CAS: 1188487-83-3
CID: 45359048
Formula: C12H9N3O5
MW: 279.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.24
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass279.07932738
Monoisotopic Mass279.07932738
Topological Polar Surface Area121 Ų
Heavy Atom Count20
Formal Charge0
Complexity387
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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