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Vipadenant

CAS No.:
442908-10-3
Catalog Number:
AG0039VL
Molecular Formula:
C16H15N7O
Molecular Weight:
321.3366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$194
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$682
- +
250mg
95%
1 week
United States
$788
- +
Product Description
Catalog Number:
AG0039VL
Chemical Name:
Vipadenant
CAS Number:
442908-10-3
Molecular Formula:
C16H15N7O
Molecular Weight:
321.3366
MDL Number:
MFCD12024697
IUPAC Name:
3-[(4-amino-3-methylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine
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)
InChI Key:
HQSBCDPYXDGTCL-UHFFFAOYSA-N
SMILES:
Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N
UNII:
LDR3USH1NJ
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.134g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.344g/mol
Monoisotopic Mass:
321.134g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Adenosine A2A receptor as a drug discovery target. Journal of medicinal chemistry 20140508
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. Clinical neuropharmacology 20100101
Novel investigational adenosine A2A receptor antagonists for Parkinson's disease. Expert opinion on investigational drugs 20091101
Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. Journal of medicinal chemistry 20090108
Properties