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Cat. No. M20723
3-Methylxanthine Structure


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Biological Activity

3-Methylxanthine (3-MX), a 3-alkylxanthine, is an inhibitor of cyclic guanosine monophosphate (GMP) phosphodiesterase (PDE) with IC50 of 920 μM on guinea-pig isolated trachealis muscle.

Chemical Information
Molecular Weight 166.14
Formula C6H6N4O2
CAS Number 1076-22-8
Solubility (25°C) DMSO 8 mg/mL
Storage Powder          -20°C   3 years ;  4°C   2 years
In solvent       -80°C   6 months ;  -20°C   1 month
Conversion of different model animals based on BSA (PMID: 27057123)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.


[1] Binxing Zhou, et al. BMC Microbiol. 3-Methylxanthine production through biodegradation of theobromine by Aspergillus sydowii PT-2

[2] Khalid H R Algharrawi, et al. Microb Cell Fact. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli

[3] Pedro M P Santos, et al. Redox Rep. Demethylation of theophylline (1,3-dimethylxanthine) to 1-methylxanthine: the first step of an antioxidising cascade


[5] R Sellman, et al. J Appl Toxicol. Kidney toxicity of 3-methylxanthine in the rat

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Keywords: 3-Methylxanthine, 3-MX supplier, PDE, inhibitors, activators

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