WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465305
CAS#: 1076-22-8
Description: 3-MX is a cGMP phosphodiesterase (PDE) inhibitor and a metabolite of theophylline and caffeine. It is formed from theophylline by the cytochrome P450 (CYP) isoform CYP1A2 and from caffeine via 6A5NF-1,3-dimethyluracil, 1,3,7-trimethyluric acid, or theobromine intermediates. 3-MX inhibits cGMP PDE in isolated guinea pig trachealis muscle with an IC50 value of 920 µM. It is neurotoxic to mice, inducing convulsions with an ED50 value of 1,107 nmol/kg.
MedKoo Cat#: 465305
Name: 3-MX
CAS#: 1076-22-8
Chemical Formula: C6H6N4O2
Exact Mass: 166.0491
Molecular Weight: 166.14
Elemental Analysis: C, 43.38; H, 3.64; N, 33.72; O, 19.26
Synonym: 3-MX; 3MX; 3 MX; 3-Methylxanthine; 3Methylxanthine; 3 Methylxanthine; NSC 515466; NSC515466; NSC-515466;
IUPAC/Chemical Name: 3-methyl-3,7-dihydro-1H-purine-2,6-dione
InChi Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N
InChi Code: InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
SMILES Code: O=C1NC(N(C2=C1NC=N2)C)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 166.14 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
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