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Las38096

CAS No.:
851371-22-7
Catalog Number:
AG004XB9
Molecular Formula:
C17H12N6O
Molecular Weight:
316.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$225
- +
25mg
98%(HPLC)
In Stock USA
United States
$433
- +
100mg
98%(HPLC)
In Stock USA
United States
$1261
- +
Product Description
Catalog Number:
AG004XB9
Chemical Name:
Las38096
CAS Number:
851371-22-7
Molecular Formula:
C17H12N6O
Molecular Weight:
316.3168
MDL Number:
MFCD19703267
IUPAC Name:
4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
InChI:
InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
InChI Key:
YRPIMMMBNUUYLG-UHFFFAOYSA-N
SMILES:
n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1
UNII:
168SF9F04E
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.107g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.107g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Discovery of N-(5,6-diarylpyridin-2-yl)amide derivatives as potent and selective A(2B) adenosine receptor antagonists. Bioorganic & medicinal chemistry letters 20100301
Discovery and characterization of 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine (LAS38096), a potent, selective, and efficacious A2B adenosine receptor antagonist. Journal of medicinal chemistry 20070531
Properties