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Tizoxanide-d4

CAT: 0804-HY-12687S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12687S-01Size:1 mg
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Description
Tizoxanide-d4 is the deuterium labeled Tizoxanide. Tizoxanide is the active metabolite of Nitazoxanide, which is a thiazolide anti-infective compound against anaerobic bacteria, protozoa, and a range of viruses. Tizoxanide has anti-HIV-1 activities[1][2].
CAS Number
1246817-56-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Autophagy; Bacterial; HIV; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Autophagy; Others
Applications
COVID-19-anti-virus
Field of Research
Infection
Purity
99.79
Solubility
10 mM in DMSO|DMSO : 25mg/mL (ultrasonic; warming; heat to 60°C) |Ethanol : 1mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=[N+]([O-])C1=CN=C(S1)NC(C2=C(C([2H])=C([2H])C([2H])=C2[2H])O)=O
Molecular Formula
C10H3D4N3O4S
Molecular Weight
269.27
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]Korba BE, et al. Nitazoxanide, tizoxanide and other thiazolides are potent inhibitors of hepatitis B virus and hepatitis C virus replication. Antiviral Res. 2008 Jan;77 (1) :56-63.|[3]Ashton LV, et al. In Vitro Susceptibility of Canine Influenza A (H3N8) Virus to Nitazoxanide and Tizoxanide. Vet Med Int. 2010 Aug 12;2010. pii: 891010.|[4]Korba BE, et al. Potential for hepatitis C virus resistance to nitazoxanide or tizoxanide. Antimicrob Agents Chemother. 2008 Nov;52 (11) :4069-71.|[5]Trabattoni D, et al. Thiazolides Elicit Anti-Viral Innate Immunity and Reduce HIV Replication. Sci Rep. 2016 Jun 2;6:27148.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Tizoxanide-d4
CAS Number1246817-56-0
PubChem CID71752591
IUPAC Name2,3,4,5-tetradeuterio-6-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Molecular FormulaC10H7N3O4S
Molecular Weight269.27
XLogP3.2
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity336
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)NC2=NC=C(S2)[N+](=O)[O-])O)[2H])[2H]
InChI
InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)/i1D,2D,3D,4D
InChIKey
FDTZUTSGGSRHQF-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Tizoxanide-d4
CAS: 1246817-56-0
CID: 71752591
Formula: C10H7N3O4S
MW: 269.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.27
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass269.04083387
Monoisotopic Mass269.04083387
Topological Polar Surface Area136 Ų
Heavy Atom Count18
Formal Charge0
Complexity336
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