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Vipadenant (Standard)

CAT: 0804-HY-10857R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10857R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vipadenant (Standard) is the analytical standard of Vipadenant. This product is intended for research and analytical applications. Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
CAS Number
442908-10-3
UNSPSC
12352100
Target
Adenosine Receptor; Reference Standards
Related Pathways
GPCR/G Protein; Others
Field of Research
Neurological Disease
Smiles
NC1=NC2=C(N=NN2CC3=CC=C(N)C(C)=C3)C(C4=CC=CO4)=N1
Molecular Formula
C16H15N7O
Molecular Weight
321.34
References & Citations
[1]Jones N, et al. A2A receptor antagonists do not induce dyskinesias in drug-naive or L-dopa sensitized rats. Brain Res Bull. 2013 Sep;98:163-9.|[2]Brian C. Shook, et al. Adenosine A2A Receptor Antagonists and Parkinson’s Disease. ACS Chem Neurosci. 2011 Oct 19; 2 (10) : 555-567.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Vipadenant
CAS Number442908-10-3
PubChem CID21874557
IUPAC Name3-[(4-amino-3-methylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
Molecular FormulaC16H15N7O
Molecular Weight321.34
XLogP1.4
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity439
SMILES
CC1=C(C=CC(=C1)CN2C3=NC(=NC(=C3N=N2)C4=CC=CO4)N)N
InChI
InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)
InChIKey
HQSBCDPYXDGTCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vipadenant
CAS: 442908-10-3
CID: 21874557
Formula: C16H15N7O
MW: 321.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.34
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass321.13380813
Monoisotopic Mass321.13380813
Topological Polar Surface Area122 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes