8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione

Basic Information

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CAS Number

93703-24-3

Molecular Formula

C6H5BrN4O2

Molecular Weight

245.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

300°C

Density

1.974

SMILES

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CN1C2=C(C(=O)NC1=O)NC(=N2)Br

InChI

InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)

InChIKey

QTEQVEJOXGBDGI-UHFFFAOYSA-N

LogP

-0.28760000000000047

Topological Polar Surface Area

83.54 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

271

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione
8-Bromo-3-methylxanthine
1H-Purine-2,6-dione,8-bromo-3,9-dihydro-3-methyl-
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione
8-BroMo-3-Methyl-3,7-dihydro-purine-2,6-dione
8-Bromo-3-methyl-3,9-dihydro-purine-2,6-dione
8-Bromo-3-methyl-xanthine
8-bromo-3-methyl-7H-purine-2,6-dione
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl- (9CI)
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione (ACI)
3-Methyl-8-bromoxanthine
8-bromo-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8-Bromo-3-methyl-3,9-dihydro-1H-purine-2,6-dione
SCHEMBL1241218
3-Methyl-8-bromoxanthine; 8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione; 8-Bromo-3-methylxanthine; Linagliptin 8-Bromo Impurity
SR-01000506601
B4134
8-bromo-3-methylpurine-2,6-diol
MFCD00462528
C6H5BrN4O2
8-bromo3-Methyl-xanthine
F0381-3715
AS-19142
BCP12331
J-519386
SCHEMBL15924314
MLS-0463078.0001
8-bromo-3-methyl-1H-purine-2,6(3H,9H)-dione
BBL012668
8-BROMO-3-METHYL-3,7-DIHYDRO-PURINE-2,6-DIONE

MDL Number

MFCD00462528

Customs Code

2933990090

FAQ

What is 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3)?

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) is a purine-based organic compound with the chemical formula C5H4BrN3O2. It features a bromo group at the 8-position and a methyl substituent at the 3-position on the purine ring. This compound is known for its structural similarity to nucleosides and is often used in chemical research and pharmaceutical development. Its properties include solubility in polar solvents and potential reactivity under specific conditions.

What are the main uses of 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3)?

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) is primarily used in pharmaceutical research as a nucleoside analog precursor. It serves as a key intermediate in the synthesis of compounds targeting viral infections and cancer therapies. Additionally, it is employed in biochemical studies to investigate nucleic acid metabolism and as a research reagent in drug discovery. Its applications also extend to industrial chemistry for custom compound development.

Is 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) safe?

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) is generally considered safe when handled properly in controlled environments. However, it may cause skin or respiratory irritation upon exposure, necessitating protective measures like gloves and ventilation. Safety standards emphasize avoiding ingestion and ensuring proper disposal to minimize environmental impact. Always follow lab safety protocols and consult MSDS for detailed handling guidelines.

How should 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) be stored?

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS: 93703-24-3) should be stored in a cool, dry place at temperatures below 25°C. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. Protect from light by storing in opaque packaging or dark cabinets. Ensure storage conditions maintain stability and avoid contamination, as it may be sensitive to humidity and light exposure.