CAS 36958-61-9

5-(bromomethyl)-3-methylisoxazole

Description:

5-(Bromomethyl)-3-methylisoxazole is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen atoms. The presence of a bromomethyl group at the 5-position and a methyl group at the 3-position contributes to its unique reactivity and properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its potential applications in medicinal chemistry, particularly in the synthesis of biologically active molecules. The bromomethyl group can serve as a reactive site for further chemical modifications, making it useful in various organic synthesis pathways. Additionally, the isoxazole moiety is often associated with pharmacological activity, which may include antimicrobial or anti-inflammatory properties. As with many halogenated compounds, safety precautions should be taken when handling 5-(bromomethyl)-3-methylisoxazole due to potential toxicity and environmental concerns.

Formula: C₅H₆BrNO

InChI: InChI=1/C5H6BrNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3

SMILES: Cc1cc(CBr)on1

5-(Bromomethyl)-3-methylisoxazole

CAS: 36958-61-9

Formula: C₅H₆BrNO

Purity: 95%

Color and Shape: Solid

Molecular weight: 176.0112

Ref: IN-DA00C88E

5-(Bromomethyl)-3-methylisoxazole

CAS: 36958-61-9

5-(Bromomethyl)-3-methylisoxazole

Formula: C₅H₆BrNO

Purity: 95%

Color and Shape: very dark red liquid

Molecular weight: 176.01g/mol

Ref: 54-OR15946

5-(Bromomethyl)-3-methylisoxazole

CAS: 36958-61-9

Formula: C₅H₆BrNO

Purity: 95%

Color and Shape: Liquid

Molecular weight: 176.013

Ref: 10-F219190

5-Bromomethyl-3-methyl-isoxazole+

CAS: 36958-61-9

5-Bromomethyl-3-methyl-isoxazole+ is an inhibitor of thymidylate synthase (TS). TS catalyzes the conversion of deoxyuridine monophosphate to dUMP and dihydrofolate. 5-Bromomethyl-3-methyl-isoxazole+ shows significant inhibition of cell proliferation, with a potency similar to that of the lead compound Lsd1. In addition, this inhibitor has good oral bioavailability in humans and does not show any cytotoxicity towards human cells. The IC50 for 5-bromomethyl-3-methyl-isoxazole+ is less than 1 nM.

Formula: C₅H₆BrNO

Purity: Min. 95%

Molecular weight: 176.02 g/mol

Ref: 3D-LBA95861