Products for Research Use Only

Parbendazole-d3

CAT: 0804-HY-115364S-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-115364S-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Parbendazole-d3 is the deuterium labeled Parbendazole. Parbendazole is a potent inhibitor of microtubule assembly, destabilizes tubulin, with an EC50 of 530 nM, and exhibits a broad-spectrum anthelmintic activity.
CAS Number
1613439-58-9
Product Name Alternative
SKF 2904-d3
UNSPSC
12352005
Hazard Statement
H302-H361
Target
Isotope-Labeled Compounds; Microtubule/Tubulin; Parasite
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Cytoskeleton; Others
Applications
COVID-19-anti-virus
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])OC(NC1=NC2=CC(CCCC)=CC=C2N1)=O
Molecular Formula
C13H14D3N3O2
Molecular Weight
250.31
Precautions
P264-P270-P280-P330-P405-P501
References & Citations
[1]Foster KE, et al. A mutant beta-tubulin confers resistance to the action of benzimidazole-carbamate microtubule inhibitors both in vivo and in vitro. Eur J Biochem. 1987 Mar 16;163 (3) :449-55.|[2]Havercroft JC, et al. Binding of parbendazole to tubulin and its influence on microtubules in tissue-culture cells as revealed by immunofluorescence microscopy. J Cell Sci. 1981 Jun;49:195-204.|[3]Lo YC, et al. Computational Cell Cycle Profiling of Cancer Cells for Prioritizing FDA-Approved Drugs with Repurposing Potential. Sci Rep. 2017 Sep 12;7 (1) :11261.|[4]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

Parbendazole-d3
CAS Number1613439-58-9
PubChem CID117065470
IUPAC Nametrideuteriomethyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC13H17N3O2
Molecular Weight250.31
XLogP3.4
Topological Polar Surface Area67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity285
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)CCCC
InChI
InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)/i2D3
InChIKey
YRWLZFXJFBZBEY-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Parbendazole-d3
CAS: 1613439-58-9
CID: 117065470
Formula: C13H17N3O2
MW: 250.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight250.31
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass250.150907031
Monoisotopic Mass250.150907031
Topological Polar Surface Area67 Ų
Heavy Atom Count18
Formal Charge0
Complexity285
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes