ChemicalBook > CAS DataBase List > 3-Methylxanthine

3-Methylxanthine

Product Name
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
Formula Weight
166.14
MOL File
1076-22-8.mol
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3-Methylxanthine Property

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
InChIKey
GMSNIKWWOQHZGF-UHFFFAOYSA-N
CAS DataBase Reference
1076-22-8(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn,T+
Risk Statements 
22-26/27/28
Safety Statements 
22-24/25
WGK Germany 
1
RTECS 
ZD8750000
HS Code 
29335990
Toxicity
LD50 intraperitoneal in mouse: 894mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
222526
Product name
3-Methylxanthine
Purity
98%
Packaging
1g
Price
$166.8
Updated
2024/03/01
Sigma-Aldrich
Product number
1653026
Product name
Theophylline Related Compound B
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
25mg
Price
$1300
Updated
2024/03/01
TCI Chemical
Product number
M2073
Product name
3-Methylxanthine
Purity
>98.0%(HPLC)(T)
Packaging
5g
Price
$38
Updated
2024/03/01
TCI Chemical
Product number
M2073
Product name
3-Methylxanthine
Purity
>98.0%(HPLC)(T)
Packaging
25g
Price
$186
Updated
2024/03/01
Alfa Aesar
Product number
L14986
Product name
3-Methylxanthine, 98+%
Packaging
250mg
Price
$79.9
Updated
2024/03/01
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3-Methylxanthine Chemical Properties,Usage,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 24?h. 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

Methylurea Sodium dithionite p-Toluenesulfonic acid N,N-Dimethylformamide Triethyl orthoformate Sodium Sodium nitrite Ethyl cyanoacetate

Preparation Products

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3-Methylxanthine Suppliers

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View Lastest Price from 3-Methylxanthine manufacturers

WUHAN FORTUNA CHEMICAL CO., LTD
Product
2,6-Dihydroxy-3-methylpurine 1076-22-8
Price
US $0.00-0.00/Kg/Drum
Min. Order
1KG
Purity
98%min
Supply Ability
500kg
Release date
2021-09-14
Nanjing Fred Technology Co., Ltd
Product
2,6-Dihydroxy-3-methylpurine 1076-22-8
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
1 ton
Release date
2024-01-03
hebei hongtan Biotechnology Co., Ltd
Product
2,6-Dihydroxy-3-methylpurine 1076-22-8
Price
US $30.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
2000kg
Release date
2024-05-14

1076-22-8, 3-Methylxanthine Related Search:

6-Hydroxypurine 4-Methyl-2-pentanone EC 1.1.3.22 Kresoxim-methyl Solvent Red 43 Tetramethylammonium hydroxide IMP N,N-Dimethylformamide Tribenuron methyl 1,3-Dimethylbarbituric acid Mesotrione Methyl salicylate Thiophanate-methyl Purine Sodium carboxymethyl cellulose 6-Methoxyguanine METSULFURON METHYL Xanthine

  • 3-METHYLXANTHINE
  • Theophylline-ethylenediamine Impurity 2（Theophylline-ethylenediamine EP Impurity B）
  • AKOS NCG-0058
  • 2,6-DIHYDROXY-3-METHYLPURINE
  • 3-methyl-7H-purine-2,6-dione
  • 3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • 3-METHYLXANTHINE XANTHINE DERIVATIVE
  • 3-METHYLXANTHINE CRYSTALLINE
  • 3-Methyl-3,7-dihydro-1H-purine-2,6-dione
  • 3-Methyl-9H-purine-2,6(1H,3H)-dione
  • 3-Methylxantine
  • 3-methyl-7H-purine-2,6-quinone
  • 3-Methyl-1H-purine-2,6(3H,7H)-dione
  • 3-Methyl-3H-purine-2,6-diol
  • 3-Methy-xanthine
  • 3-METHYLXANTHINE 98+%
  • 1H-Purine-2,6-dione, 3,9-dihydro-3-Methyl-
  • Theophylline Impurity B
  • 3-methyl-7H-xanthine
  • Theophylline-ethylenediamine EP Impurity B
  • 3 METHYL XANTHINE (1076-22-8)
  • Theophylline Related Compound B
  • 3,7-dihydro-3-methyl-1h-purine-6-dione
  • 3-methyl-xanthin
  • 3-methyl-9H-xanthine
  • 6-Dihydroxy-3-methylpurine
  • Linaint-E
  • Theophylline EP Impurity B
  • Pentoxifylline EP impurity B
  • Pentoxifylline Impurity 2(Pentoxifylline EP Impurity B)
  • 3-Methylxanthine&gt
  • Theophylline EP Impurity B (Pentoxifylline EP Impurity B)
  • Linagliptin 3-Methyl Xanthine Impurity
  • Pentoxifylline Impurity 2（Pentoxifylline EP Impurity A）
  • 2,6-Dihydroxy-3-methylpurine USP/EP/BP
  • (2-(chloromethyl)-4-methylquinazoline)，2,6-Dihydroxy-3-methylpurine
  • Linagliptin intermediates，2,6-Dihydroxy-3-methylpurine
  • Pentoxifylline EP Impurity B (Theophylline EP Impurity B/ Linagliptin 3-Methyl Xanthine Impurity)
  • Linagliptin 3-Methyl Xanthine Impurity (Pentoxifylline EP Impurity B/ Theophylline EP Impurity B)
  • Theophylline EP Impurity B (Pentoxifylline EP Impurity B/ Linagliptin 3-Methyl Xanthine Impurity)
  • TIANFU-CHEM - 2,6-Dihydroxy-3-methylpurine
  • Theophylline Related Compound B (3-Methyl-1H-purine-2,6-dione) (1653026)
  • Theophylline USP Related Compound B
  • 3-Methyl-3,7-dihydropurine-2,6-dione
  • b . 3-me th yl-3,7-d i h yd ro-1h -puri ne -2,6-d i one ,
  • Theophylline-Ethylenediamine Impurity B
  • Theophylline (Pentoxifylline) EP Impurity B
  • Pentoxifylline Impurity B
  • Linagliptin intermediate 3-Methylxanthine( india site)
  • 3-Methylxanthine, ≥ 98.0%
  • Zotepine Impurity6
  • 1076-22-8
  • 107-22-8
  • C6H6N4O2
  • Heterocyclic Building Blocks
  • Nucleosides, Nucleotides, Oligonucleotides
  • Nucleoside Analogs
  • Purines