3-Methylxanthine
- CAS No.
- 1076-22-8
- Chemical Name:
- 3-Methylxanthine
- Synonyms
- 3-METHYLXANTHINE;3-Methyl-3,7-dihydro-1H-purine-2,6-dione;3-Methylxantine;Linaint-E;AKOS NCG-0058;3-Methy-xanthine;3-methyl-xanthin;Zotepine Impurity6;3-Methylxanthine>3-methyl-7H-xanthine
- CBNumber:
- CB6349064
- Molecular Formula:
- C6H6N4O2
- Molecular Weight:
- 166.14
- MDL Number:
- MFCD00005580
- MOL File:
- 1076-22-8.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| 3-Methylxanthine 98% | 222526 | 1g | $458 |
| Theophylline Related Compound B United States Pharmacopeia (USP) Reference Standard | 1653026 | 25mg | $1390 |
| 3-Methylxanthine >98.0%(HPLC)(T) | M2073 | 5g | $36 |
| 3-Methylxanthine >98.0%(HPLC)(T) | M2073 | 25g | $117 |
| 3-Methylxanthine ≥98% | 34288 | 5g | $41 |
| More product size | |||
| Melting point | >300 °C (lit.) |
|---|---|
| Boiling point | 294.33°C (rough estimate) |
| Density | 1.4434 (rough estimate) |
| refractive index | 1.6700 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | pK1:8.10;pK2:11.3 (25°C) |
| color | White to Pale Beige |
| Water Solubility | Insoluble in water. |
| BRN | 180944 |
| InChI | 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) |
| InChIKey | GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| SMILES | N1C2=C(N(C)C(=O)NC2=O)NC=1 |
| CAS DataBase Reference | 1076-22-8(CAS DataBase Reference) |
| FDA UNII | WS6X982OEC |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P301+P312+P330 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,T+ | |||||||||
| Risk Statements | 22-26/27/28 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | ZD8750000 | |||||||||
| HS Code | 29335990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | LD50 intraperitoneal in mouse: 894mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
3-Methylxanthine price More Price(55)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 222526 | 3-Methylxanthine 98% | 1076-22-8 | 1g | $458 | 2026-04-30 | Buy |
| Sigma-Aldrich | 1653026 | Theophylline Related Compound B United States Pharmacopeia (USP) Reference Standard | 1076-22-8 | 25mg | $1390 | 2026-04-30 | Buy |
| TCI Chemical | M2073 | 3-Methylxanthine >98.0%(HPLC)(T) | 1076-22-8 | 5g | $36 | 2026-04-30 | Buy |
| TCI Chemical | M2073 | 3-Methylxanthine >98.0%(HPLC)(T) | 1076-22-8 | 25g | $117 | 2026-04-30 | Buy |
| Cayman Chemical | 34288 | 3-Methylxanthine ≥98% | 1076-22-8 | 5g | $41 | 2026-04-30 | Buy |
3-Methylxanthine Chemical Properties,Uses,Production
Description
3-Methylxanthine is one of the metabolites of theophylline. After oral intake, approximately 36% is excreted in the urine as 3-methylxanthine, 40% as 1,3-dimethyluric acid and 17% as 1-methyluric acid. 3-methylxanthine (3MX) has been assessed as an adenosine antagonist and produces the same maximal relaxation of guinea pig tracheal muscle as does. 3MX is also used to examine conformational heterogeneity in RNA aptamers and riboswitches[1-2].
Chemical Properties
Light yellow powder
Uses
3-Methylxanthine is a Xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine.They can also act as Bronchodilator.
Definition
ChEBI: 3-methyl-9H-xanthine is a 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. It has a role as a metabolite. It is a tautomer of a 3-methyl-7H-xanthine.
Biosynthesis
As the primary intermediate of theobromine degradation, 3-methylxanthine might be degraded by A. tamarii PT-7 and other candidate isolates in the liquid culture. The accumulation of 3-methylxanthine increased along with theobromine degradation since it was detected in the liquid culture after cultivation for 24h. Over 6 days of cultivation of A. sydowii PT-2, 3-methylxanthine was produced and increased significantly (p<0.05) with an increasing initial theobromine concentration, respectively, showing a linear relationship between theobromine degradation and 3-methylxanthine accumulation[3].
General Description
3-Methylxanthine, a metabolite of theophylline, was quantitated in rat plasma by a sensitive LC-MS/MS method.
Purification Methods
Crystallise it from water. [Beilstein 26 II 263, 26 III/IV 2329.]
References
[1] R. Sellman, &P. J. Klemi. “Kidney toxicity of 3-methylxanthine in the rat.” Journal of Applied Toxicology 4 6 (1984): 304–307.
[2] K. H. Algharrawi. “Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli.” Microbial Cell Factories 14 1 (2015).
[3] Binxing Zhou. “3-Methylxanthine production through biodegradation of theobromine by Aspergillus sydowii PT-2.” BMC Microbiology (2020): 269.
3-Methylxanthine Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Henan Boweixin Biotechnology Co., Ltd. | +8615617696836 | boweixin@gmail.com | China | 17 | 58 |
| Firsky International Trade (Wuhan) Co., Ltd | +8615387054039 | admin@firsky-cn.com | China | 427 | 58 |
| Henan Bao Enluo International TradeCo.，LTD | +86-17331933971 | deasea125996@gmail.com | China | 2472 | 58 |
| Anhui Ruihan Technology Co., Ltd | +8617756083858 | daisy@anhuiruihan.com | China | 973 | 58 |
| Capot Chemical Co.,Ltd. | +8613336195806 | sales@capot.com | China | 29640 | 60 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21588 | 55 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29815 | 58 |
| Jinan Finer Chemical Co., Ltd | +86-531-88989536 +86-15508631887 | sales@finerchem.com | China | 2950 | 58 |
| Shanghai Worldyang Chemical Co.,Ltd. | +86-021-56795779 +8613651600618 | sales@worldyachem.com | China | 967 | 58 |
| Nanjing Baifuli Technology Co., Ltd. | +86-15335185688 | sales@unisyn.cn | CHINA | 332 | 58 |
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View Lastest Price from 3-Methylxanthine manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-29 | 3-Methylxanthine
1076-22-8
|
US $0.00 / kg | 1kg | 0.98 | 1000 | Henan Boweixin Biotechnology Co., Ltd. | |
 |
2026-05-29 | 2,6-Dihydroxy-3-methylpurine
1076-22-8
|
US $0.00-0.00 / Kg/Drum | 1KG | 98%min | 500kg | WUHAN FORTUNA CHEMICAL CO., LTD | |
 |
2026-05-21 | 2,6-Dihydroxy-3-methylpurine
1076-22-8
|
US $15.00 / KG | 1KG | 99% | 20mt | Jinan Finer Chemical Co., Ltd |
-
- 3-Methylxanthine
1076-22-8
- US $0.00 / kg
- 0.98
- Henan Boweixin Biotechnology Co., Ltd.
-
- 2,6-Dihydroxy-3-methylpurine
1076-22-8
- US $0.00-0.00 / Kg/Drum
- 98%min
- WUHAN FORTUNA CHEMICAL CO., LTD
-
- 2,6-Dihydroxy-3-methylpurine
1076-22-8
- US $15.00 / KG
- 99%
- Jinan Finer Chemical Co., Ltd
