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IBMX

CAT: 0957-S5836-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-S5836-04Size:100 mg
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Description
IBMX (Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine) is a nonspecific inhibitor of phosphodiesterase (PDE) with IC50 values of 6.5±1.2, 26.3±3.9 and 31.7±5.3 μM for PDE3, 4 and 5 respectively. It may enhance the intracellular cAMP levels and also acts as an adenosine (A1) receptor antagonist.
CAS Number
28822-58-4
Synonyms
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine
Target
PDE
Activity
Metabolism
Molecular Formula
C10H14N4O2
Storage Conditions
3 years -20°C powder

Chemical Information

3-Isobutyl-1-methylxanthine

3-isobutyl-1-methyl-7H-xanthine is a 3-isobutyl-1-methylxanthine. It is functionally related to a 7H-xanthine. It is a tautomer of a 3-isobutyl-1-methyl-9H-xanthine.

CAS Number28822-58-4
PubChem CID3758
IUPAC Name1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Molecular FormulaC10H14N4O2
Molecular Weight222.24
XLogP1.5
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity318
SMILES
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey
APIXJSLKIYYUKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Isobutyl-1-methylxanthine
CAS: 28822-58-4
CID: 3758
Formula: C10H14N4O2
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass222.11167570
Monoisotopic Mass222.11167570
Topological Polar Surface Area69.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
561233IBMX

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