15911-15-6

Basic information

• Product Name: 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
• Synonyms: 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
• CAS NO: 15911-15-6
• Molecular Formula: C₁₃H₁₁N₃O₂
• Molecular Weight: 241.25
• Mol File: 15911-15-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 189-191 °C
• Boiling Point: 434°C at 760 mmHg
• Flash Point: 216.3°C
• Appearance: /
• Density: 1.35g/cm³
• Vapor Pressure: 9.81E-08mmHg at 25°C
• Refractive Index: 1.67
• PKA: -0.41±0.40(Predicted)
• CAS DataBase Reference: 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one(15911-15-6)
• EPA Substance Registry System: 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one(15911-15-6)

Safety Data

• Hazardous Substances Data: 15911-15-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3

Upstream product

• 100-63-0 phenylhydrazine 
• 15911-11-2 ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate 
• 59-88-1 phenylhydrazine hydrochloride 
• 14337-43-0 ethyl 2-chloro-2-(hydroxyimino)acetate 

Downstream Products

• 23198-55-2 3,5-dimethyl-1-phenylpyrazole-4-carbonitrile 
• 134843-13-3 5-acetyl-4-amino-6-methyl-2-phenylpyridazin-3(2H)-one 
• 59761-67-0 4-methyl-6-phenyl-3-trans-styryl-6H-isoxazolo[3,4-d]pyridazin-7-one 

Relevant articles and documents

Isoxazole analogues bind the System xc- transporter: Structure-activity relationship and pharmacophore model

Analogues of amino methylisoxazole propionic acid (AMPA), were prepared from a common intermediate 12, including lipophilic analogues using lateral metalation and electrophilic quenching, and were evaluated at System xc-. Both the 5-naphthylethyl-(16) and 5-naphthylmethoxymethyl-(17) analogues adopt an E-conformation in the solid state, yet while the former has robust binding at System xc-, the latter is virtually devoid of activity. The most potent analogues were amino acid naphthyl-ACPA 7g, and hydrazone carboxylic acid, 11e Y = Y′ = 3,5-(CF3)2, which both inhibited glutamate uptake by the System xc- transporter with comparable potency to the endogenous substrate cystine, whereas in contrast the closed isoxazolo[3,4-d] pyridazinones 13 have significantly lower activity. A preliminary pharmacophore model has been constructed to provide insight into the analogue structure-activity relationships.