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

Basic Information

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CAS Number

666816-98-4

Molecular Formula

C10H9BrN4O2

Molecular Weight

30.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

Physical State

Powder

Density

1.71

SMILES

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CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

InChIKey

HFZOBQSHTNNKFY-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

427

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

AKOS016007674
8-Bromo-3-methyl-7-(2-butynyl)-xanthine
FT-0698780
SY053320
MFCD22126091
8-BROMO-7-(BUT-2-YNYL)-3-METHYL-3,7-DIHYDROPURINE-2,6-DIONE
BCP11176
1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-
C10H9BrN4O2
8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine
3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine
J-519399
8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
3-Methyl-7-(2-butine-1-yl)-8-bromoxanthine
AS-19141
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
666816-98-4
SCHEMBL497538
A1-00287
EC 613-975-8
8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-
B4454
8-broMo-7-(but-2-ynyl)-3-Methyl-1H-purine-2,6(3H,7H)-dione
369GFU4R24
8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
AMY8821
CS-M2665
8-Bromo-7-(2-butynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
3-methyl-7-(2-butyn-l-yl)-8-bromo-xanthine

MDL Number

MFCD22126091

Customs Code

2933990090

FAQ

What is 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4)?

8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) is a synthetic organic compound belonging to the purine class. It has the chemical formula C10H10BrN4O2 and is characterized by its bromine and butynyl substituents on the purine ring. This compound is known for its potential biological activity and is often used in chemical research and pharmaceutical development.

What are the main uses of 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4)?

8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) is primarily used in pharmaceutical research as a potential lead compound for drug development. It may also find applications in organic synthesis and as a precursor for other bioactive molecules. Due to its chemical structure, it is of interest in the study of nucleotide analogs and metabolic pathways.

Is 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) safe?

The safety of 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) has not been fully established for human use. As with many chemical compounds, it requires careful handling to avoid exposure. Safety measures include using personal protective equipment (PPE), working in a well-ventilated area, and following standard chemical safety protocols to minimize health and environmental risks.

How should 8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) be stored?

8-Bromo-7-(2-butyn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS: 666816-98-4) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and air. Storage at temperatures below 25°C and in a controlled environment helps prevent degradation and ensures long-term chemical integrity.