6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one

• ChemBase ID: 154836
• Molecular Formular: C19H15N3O3
• Molecular Mass: 333.3407
• Monoisotopic Mass: 333.11134136
• SMILES: Cn1c(cc2c(c1=O)c(no2)c1ccncc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc2onc(c2c(=O)n1C)c1ccncc1
• InChI: InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
• InChIKey: PDWYBOZNEVALOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one
• IUPAC Traditional name: 6-(4-methoxyphenyl)-5-methyl-3-(pyridin-4-yl)-[1,2]oxazolo[4,5-c]pyridin-4-one
• Synonyms: 6-(4-Methoxyphenyl)-5-methyl-3-(4-pyridinyl)-isoxazolo[ 4,5-c]pyridin-4(5H)-one; MMPIP

Database IDs

• CAS Number: 479077-02-6
• MDL Number: MFCD12195836
• PubChem SID: 162248974
• PubChem CID: 9945530

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.785749
• LogD (pH = 7.4): 1.7880594
• Log P: 1.7880888
• Molar Refractivity: 94.4056 cm^3
• Polarizability: 36.01515 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ≥10 mg/mL
• Apperance: white to off-white powder

Safety Information

• Storage Condition: desiccated
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Storage Temperature: room temp

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C19H15N3O3

DETAILS

Sigma Aldrich - M3074

Biochem/physiol Actions
MMPIP is a potent, selective, allosteric antagonist of metabotropic glutamate receptor 7 (mGluR7). It also displays intrinsic activity and acts as an inverse agonist.