| Field | Specification |
|---|---|
| Target | |
| Alternative names | 3-Isobutyl-1-methylxanthine; Isobutylmethylxanthine |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C10H14N4O2 |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
IBMX, also known as 3-Isobutyl-1-methylxanthine or Isobutylmethylxanthine, is a broad-spectrum phosphodiesterase (PDE) inhibitor with IC50 values of 6.5, 26.3, and 31.7 μM against PDE3, PDE4, and PDE5, respectively. It is supplied as a white to light yellow solid (C10H14N4O2, MW 222.25) at 99.96% purity.
Physical & Chemical Properties
| CAS Number | 28822-58-4 |
|---|---|
| Molecular Formula | C10H14N4O2 |
| Molecular Weight | 222.25 g/mol |
| Purity | 99.96% |
| Appearance | Solid |
| Color | White to light yellow |
| SMILES | O=C(N1C)N(CC(C)C)C2=C(N=CN2)C1=O |
| Target | PDE3, PDE4 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Solubility | In Vitro: DMSO: 125 mg/mL (562.43 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) Ethanol: ≥ 7.14 mg/mL (32.13 mM) * "≥" means soluble, but saturation unknown. |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 125 mg/mL (562.43 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
| Ethanol | ≥ 7.14 mg/mL (32.13 mM) | — |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 1.67 mg/mL (7.51 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.67 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (16.7 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | 1.67 mg/mL (7.51 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 1.67 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (16.7 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 1.67 mg/mL (7.51 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 1.67 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (16.7 mg/mL) to 900 μL corn oil. |
Protocol 4
| Composition | 10% EtOH + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 0.71 mg/mL (3.19 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 0.71 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL EtOH stock (7.1 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 5
| Composition | 10% EtOH + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 0.71 mg/mL (3.19 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 0.71 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL EtOH stock (7.1 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 6
| Composition | 10% EtOH + 90% Corn Oil |
|---|---|
| Result | ≥ 0.71 mg/mL (3.19 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 0.71 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL EtOH stock (7.1 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
KMUP-1 (a xanthine derivative) and IBMX, both at 100 μM, are the most effective inducers of tracheal relaxation, and the relaxation magnitudes for KMUP-1 and IBMX do not differ significantly[1]. IBMX (100 μM) activates renal outer medullary K+ (ROMK) channels (n=6, P<0.05) and blocks further channel activation by ANG II (n=6, P=NS) or cGMP. Notably, when cortical collecting ducts (CCDs) isolated from high-K+ (HK)-fed rats are pretreated with IBMX (100 μM) for 20 min, tubular cAMP content rises significantly to 1.43±0.35 pg/mm tubule length (n=14), versus 0.61±0.13 pg/mm tubule length in vehicle-treated controls (n=12, P<0.05)[2].
In Vivo
IBMX, a non-selective PDE inhibitor, significantly lowers liver glycogen storage (mg/g, IBMX 22±1.5 P<0.001). Versus the control group, IBMX and mc5 significantly raise plasma glucose (blood glucose, mg/dl, control=141±3, IBMX=210±17 P<0.001 and mc5=191±13 P<0.01), whereas the other test compounds (mc1, mc6, MCPIP and Win 47203) have no significant effect (control=141±3, mc1 160±7, mc6 175±9, MCPIP 179±8 and Win 47203 116±2 P>0.05); mc2 likewise leaves plasma glucose unchanged (control=141±3 and mc2=145±5). IBMX has the highest efficacy in raising plasma glucose[3]. IBMX and Apocynin treatments significantly reduce the cold-induced rise in right ventricular (RV) systolic pressure (23.5±1.8 and 24.2±0.6 mmHg, respectively), although RV pressure does not return to warm control levels. In cold-exposed rats, small PAs show significantly reduced medial layer thickness with IBMX or Apocynin (19.0±0.9, and 16.9±0.8 μm, respectively), along with greater lumen diameter (62.7±4.2, and 59.5±4.3 μm, respectively)[4].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Cell Assay[2]
Grow cells in 24-well plates at 105 cells per well. At confluence, wash monolayer cells with phosphate buffer solution (PBS), then incubate for 20 min with KMUP-1 (0.1-100 μM) plus 100 μM IBMX. Stop the incubation by adding 10% trichloroacetic acid (TCA). Sonicate the cell suspensions, then centrifuge at 2500× g for 15 min at 4°C. To remove TCA, extract the supernatants three times with 5 volumes of water-saturated diethyl ether. Lyophilize the supernatants, then determine the cyclic GMP or AMP of each sample with commercially available radioimmunoassay kits[2].
Animal Administration[3][4]
Mice[3] Use male mice (25-35 g). Inject the test compound (IBMX, MCPIP, mc1, mc2, mc5 or mc6) or solvent (control) subcutaneously at 1 mg/kg twice a day (8:00 a.m. and 8:00 p.m.) for 7 days. Rats[4] Use six groups of male Sprague-Dawley rats (150-180g, 6 rats/group). House three groups in a climate-controlled walk-in chamber kept at moderate cold (5.0±1°C), and keep the remaining groups, as controls, in an identical chamber held at room temperature (23.5±1°C, warm). After eight weeks of cold exposure, give 3 groups in each temperature condition a continuous IV infusion of IBMX at 8.5 mg/kg/day (PDE-1 inhibitor), Apocynin at 25 mg/kg/day (NADPH oxidase inhibitor), or vehicle (DMSO, 50%), respectively. These doses have been validated to inhibit PDE-1 and NADPH oxidase activity effectively, respectively. Measure body weight weekly. After one week of drug infusion, measure the right ventricular systolic blood pressure (RVBP) of the animals under anesthesia. The RVP has been used by numerous investigators to evaluate PH, as a reliable indicator of pulmonary arterial blood pressure (PAP).
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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