Vipadenant
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MedKoo CAT#: 319805

CAS#: 442908-10-3

Description: Vipadenant, also known as BIIB014, CEB-4520, is a potent, selective and orally available adenosine A2A receptor antagonist under development for for Parkinson's disease. Vipadenant demonstrates strong oral activity in commonly used models of Parkinson's disease. Vipadenant has shown excellent preclinical pharmacokinetics and has successfully completed phase I clinical studies.

Chemical Structure

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Vipadenant
CAS# 442908-10-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 319805
Name: Vipadenant
CAS#: 442908-10-3
Chemical Formula: C16H15N7O
Exact Mass: 321.13
Molecular Weight: 321.344
Elemental Analysis: C, 59.80; H, 4.71; N, 30.51; O, 4.98

Price and Availability

Size Price Availability Quantity
10mg USD 150 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 950 Ready to ship
500mg USD 1650 Ready to ship
1g USD 2750 Ready to ship
2g USD 4350 Ready to ship
5g USD 7550 2 weeks
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Synonym: BIIB014; BIIB-014; BIIB 014; CEB-4520; CEB 4520; CEB4520; V-2006; V2006; V 2006; VER-11135; VER-A00-11; VER-A00049; VER-ADO-49; Vipadenant

IUPAC/Chemical Name: 3-(4-amino-3-methylbenzyl)-7-(furan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

InChi Key: HQSBCDPYXDGTCL-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: NC1=NC(C2=CC=CO2)=C(N=NN3CC4=CC=C(N)C(C)=C4)C3=N1

Appearance: White to off-white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target: Vipadenant (BIIB-014; CEB-4520) is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 37.0 115.14

Preparing Stock Solutions

The following data is based on the product molecular weight 321.34 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Brooks DJ, Papapetropoulos S, Vandenhende F, Tomic D, He P, Coppell A, O'Neill G. An open-label, positron emission tomography study to assess adenosine A2A brain receptor occupancy of vipadenant (BIIB014) at steady-state levels in healthy male volunteers. Clin Neuropharmacol. 2010 Mar-Apr;33(2):55-60. doi: 10.1097/WNF.0b013e3181d137d2. PubMed PMID: 20375654.

2: Pinna A. Novel investigational adenosine A2A receptor antagonists for Parkinson's disease. Expert Opin Investig Drugs. 2009 Nov;18(11):1619-31. doi: 10.1517/13543780903241615. Review. PubMed PMID: 19888872.

3: Gillespie RJ, Bamford SJ, Botting R, Comer M, Denny S, Gaur S, Griffin M, Jordan AM, Knight AR, Lerpiniere J, Leonardi S, Lightowler S, McAteer S, Merrett A, Misra A, Padfield A, Reece M, Saadi M, Selwood DL, Stratton GC, Surry D, Todd R, Tong X, Ruston V, Upton R, Weiss SM. Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. J Med Chem. 2009 Jan 8;52(1):33-47. doi: 10.1021/jm800961g. PubMed PMID: 19072055.