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IBMX

CAT: 0804-HY-12318-04Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12318-04Size:200 mg
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Description
IBMX is a broad-spectrum phosphodiesterase (PDE) inhibitor, with IC50s of 6.5, 26.3 and 31.7 μM for PDE3, PDE4 and PDE5, respectively.
CAS Number
28822-58-4
Product Name Alternative
3-Isobutyl-1-methylxanthine; Isobutylmethylxanthine
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphodiesterase (PDE)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/IBMX.html
Purity
99.99
Solubility
DMSO : 125 mg/mL (ultrasonic) |Ethanol : ≥ 7.14 mg/mL
Smiles
O=C(N1C)N(CC(C)C)C2=C(N=CN2)C1=O
Molecular Formula
C10H14N4O2
Molecular Weight
222.25
Precautions
H302, H315, H319, H335
References & Citations
[1]Wu BN, et al. KMUP-1, a xanthine derivative, induces relaxation of guinea-pig isolated trachea: the role of the epithelium, cyclic nucleotides and K+ channels. Br J Pharmacol. 2004 Aug;142 (7) :1105-14|[2]Wei Y, et al. Angiotensin II type 2 receptor regulates ROMK-like K+ channel activity in the renal cortical collecting duct during high dietary K+ adaptation. Am J Physiol Renal Physiol. 2014 Oct 1;307 (7) :F833-43|[3]Hosseini A, et al. Differential metabolic effects of novel cilostamide analogs, methyl carbostiryl derivatives, on mouse and hyperglycemic rat. Iran J Basic Med Sci. 2012 Jul;15 (4) :916-25.|[4]Crosswhite P, et al. Inhibition of phosphodiesterase-1 attenuates cold-induced pulmonary hypertension. Hypertension. 2013 Mar;61 (3) :585-92.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE3; PDE4

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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