CAS 6497-21-8

1-(5-methylisoxazol-4-yl)ethanone

Description:

1-(5-Methylisoxazol-4-yl)ethanone, with the CAS number 6497-21-8, is an organic compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This substance features a methyl group at the 5-position of the isoxazole ring and an ethanone functional group, indicating the presence of a carbonyl group (C=O) adjacent to an ethyl group. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure contributes to its potential applications in pharmaceuticals and agrochemicals, particularly due to the biological activity often associated with isoxazole derivatives. The presence of the methyl group can influence its reactivity and interaction with biological targets. As with many organic compounds, it is important to handle it with care, considering safety data and potential hazards associated with its use.

Formula: C₆H₇NO₂

InChI: InChI=1/C6H7NO2/c1-4(8)6-3-7-9-5(6)2/h3H,1-2H3

SMILES: CC(=O)c1cnoc1C

1-(5-Methyl-4-isoxazolyl)-1-ethanone

CAS: 6497-21-8

Formula: C₆H₇NO₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 125.1253

Ref: IN-DA00EDQQ

1-(5-Methyl-1,2-oxazol-4-yl)ethan-1-one

CAS: 6497-21-8

1-(5-Methyl-1,2-oxazol-4-yl)ethan-1-one

Purity: 95%

Molecular weight: 125.13g/mol

Ref: 54-OR32873

1-(5-Methylisoxazol-4-yl)ethan-1-one

CAS: 6497-21-8

Purity: 95%

Molecular weight: 125.1269989

Ref: 10-F616630

1-(5-Methyl-4-isoxazolyl)-1-ethanone

CAS: 6497-21-8

1-(5-Methyl-4-isoxazolyl)-1-ethanone is a natural product that has been shown to inhibit the growth of prostate cancer cells. It is a conformationally selective inhibitor of cyclooxygenase 2 (COX-2) that has shown activity in tumor models. The molecular modeling studies suggest that the compound binds to the COX-2 enzyme in a stereoselective manner, and it may be possible to alter its conformation to make it more potent. This research also suggests that 1-(5-methyl-4-isoxazolyl)-1-ethanone could serve as a lead compound for future drug development.

Formula: C₆H₇NO₂

Purity: Min. 95%

Molecular weight: 125.13 g/mol

Ref: 3D-GAA49721