3-Isobutyl-1-methylxanthine
Also known as: IBMX, 1-Methyl-3-isobutylxanthine, 3-Isobutyl-1-methyl-7H-xanthine, 3-Isobutyl-1-methylxanthine (IBMX), Isobutylmethylxanthine, 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione, MFCD00005584, NSC165960, SC2964
3-Isobutyl-1-methylxanthine (CAS 28822-58-4) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C10H14N4O2 and a molecular weight of 222.244 g/mol. Key properties include a melting point of 200-201 °C(lit.), a boiling point of 445.6±37.0 °C at 760 mmHg, a density of 1.3±0.1 g/cm3 and a flash point of 223.3±26.5 °C. It is classified under GHS with signal word Warning and hazard statements H302 — Harmful if swallowed. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.
- CAS No.
- 28822-58-4
- Jingsj CID
- J-1991454-6
- Molecular Formula
- C10H14N4O2
- Molecular Weight
- 222.244 g/mol
- Category
- Pharma Intermediates
- Last updated
- 8/21/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 200-201 °C(lit.) |
|---|---|
| Boiling Point | 445.6±37.0 °C at 760 mmHg |
| Density | 1.3±0.1 g/cm3 |
| Flash Point | 223.3±26.5 °C |
| Exact Mass | 222.111679 |
| PSA | 72.68000 |
| LogP | 1.24 |
| Vapor Pressure | 0.0±1.1 mmHg at 25°C |
| Refractive Index | 1.569 |
| Additional Property | DMSO: 1 M with gentle warming |
GHS Safety & Compliance
- H302 — Harmful if swallowed
Activity & Biological Data
| Target | IC50: 6.5±1.2 μM(PDE3), 26.3±3.9 μM (PDE4), 31.7±5.3 μM (PDE5)[1] |
|---|---|
| Additional Information | [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. |
Customs & Trade Information
| HS Code | 2942000000 |
|---|
Frequently Asked Questions
What is the CAS number of 3-Isobutyl-1-methylxanthine?
The CAS number of 3-Isobutyl-1-methylxanthine is 28822-58-4.
What are the molecular formula and molecular weight of 3-Isobutyl-1-methylxanthine?
3-Isobutyl-1-methylxanthine has molecular formula C10H14N4O2 and molecular weight 222.244 g/mol.
Is 3-Isobutyl-1-methylxanthine hazardous?
3-Isobutyl-1-methylxanthine has GHS signal word Warning and hazard statements H302 — Harmful if swallowed.
What are the upstream and downstream products of 3-Isobutyl-1-methylxanthine?
For 3-Isobutyl-1-methylxanthine, Upstream Products: 1-Methylxanthine, 6-Amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione, Formic Acid; Downstream Products: 1,7-Dimethyl-3-isobutylxanthine.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "3-Isobutyl-1-methylxanthine (CAS 28822-58-4)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1991454-6 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.