4-Chloromethyl-3,5-dimethylisoxazole

CAS: 19788-37-5

Ref. 3D-FC10506

Product Information

• Name: 4-Chloromethyl-3,5-dimethylisoxazole
• Synonyms: (3,5-Dimethylisoxazol-4-yl)methyl chloride, 3,5-Dimethyl-4-chloromethylisoxazole, 4-(Chloromethyl)-3,5-Dimethyl-1,2-Oxazole, Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
• CAS: 19788-37-5

Description

4-Chloromethyl-3,5-dimethylisoxazole (CMI) is a protonated molecule that can interact with the anhydrase crth2 and inhibit its function. CMI has been shown to be a lachrymator in mice and induces functional changes in the cytosol. These effects are due to the interaction of CMI with the anhydrase crth2 and the activation of imine formation. The molecular modelling showed that CMI interacts with the hydroxyl group at position 2 on crth2, which is responsible for catalysis. The molecular electrostatic potentials of CMI indicate that it has a strong interaction with water molecules, which may explain its hydrophilic nature.

• Brand: Biosynth

Chemical properties

• Molecular weight: 145.59 g/mol
• Formula: C₆H₈ClNO
• Purity: Min. 95%
• InChI: InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
• InChI key: InChIKey=NIFAUKBQIAURIM-UHFFFAOYSA-N
• SMILES: Cc1noc(C)c1CCl