Vipadenant
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Vipadenant
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CAS No:
442908-10-3
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Formula:
C16H15N7O
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Chemical Name:
Vipadenant
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Synonyms:
BIIB 014;Vipadenant;Vipadenant(BIIB 014);3-[(4-Amino-3-methylphenyl)methyl]-7-(2-furanyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine;CEB 4520;V 2006;VER 11135;VER-A 00049
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CAS No:
Description
Vipadenant is an adenosine receptor antagonist, with Kis of 1.3 nM and 68 nM for A2A and A1, respectively.
Drug Information
Investigated for use/treatment in parkinson's disease.
Compounds that selectively bind to and block the activation of ADENOSINE A2 RECEPTORS. (See all compounds classified as Adenosine A2 Receptor Antagonists.)
3-(4-amino-3-methylbenzyl)-7-(2-furyl)-3H-(1,2,3)triazolo(4,5-d)pyrimidine-5-amine
Vipadenant Use and Manufacturing
Preparation of3-(4-amino-3-methylbenzyl)-7-(furan-2-yl)-3H- [l, 2, 3]triazolo[4, 5-d]pyrimidin-5-amine (1) A 250 mL 2-necked round-bottomed flask was charged with 7-(furan-2-yl)-3-(3- methyl-4-nitrobenzyl)-3H-[l, 2, 3]triazolo[4, 5-d]pyrimidin-5-amine (3.0 g, 8.5 mmol) and 5percent Pd/C catalyst (0.46 g, 0.073 mmol) under a nitrogen atmosphere. Next, THF (72 mL) and triethylamine (9.0 mL, 65 mmol) were added via syringe and the resulting mixture was stirred to obtain slurry. Formic acid (2.3 mL, 46.03 mmol) was then added all at once, and the mixture was heated with a bath set to a temperature of 70
Computed Properties
Molecular Weight:321.34
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:321.13380813
Monoisotopic Mass:321.13380813
Topological Polar Surface Area:122
Heavy Atom Count:24
Complexity:439
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes