Home Other Building Blocks 3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione

3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione

CAS No.:
78033-08-6
Catalog Number:
AG003JLY
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
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Product Description
Catalog Number:
AG003JLY
Chemical Name:
3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
78033-08-6
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
MDL Number:
MFCD00211081
IUPAC Name:
8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
InChI:
InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
InChI Key:
NBLBCGUCPBXKOV-UHFFFAOYSA-N
SMILES:
COCc1[nH]c2c(n1)n(CC(C)C)c(=O)n(c2=O)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.138g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.301g/mol
Monoisotopic Mass:
266.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
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Immunopharmacological potential of selective phosphodiesterase inhibition. I. Differential regulation of lipopolysaccharide-mediated proinflammatory cytokine (interleukin-6 and tumor necrosis factor-alpha) biosynthesis in alveolar epithelial cells. The Journal of pharmacology and experimental therapeutics 20020201
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The role of cGMP hydrolysing phosphodiesterases 1 and 5 in cerebral artery dilatation. European journal of pharmacology 20010518
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