3-(4-bromo-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 153236
• Molecular Formular: C16H13BrN2O
• Molecular Mass: 329.19122
• Monoisotopic Mass: 328.02112505
• SMILES: Cc1cc(ccc1n1c(nc2ccccc2c1=O)C)Br
• Canonical SMILES: Brc1ccc(c(c1)C)n1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C16H13BrN2O/c1-10-9-12(17)7-8-15(10)19-11(2)18-14-6-4-3-5-13(14)16(19)20/h3-9H,1-2H3
• InChIKey: CIYGULLCDQXZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromo-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 3-(4-bromo-2-methylphenyl)-2-methylquinazolin-4-one
• Synonyms: 3-(4-Bromo-2-methylphenyl)-2-methyl-4(3H)-quinazolinone; 4-Bromomethaqualone; CP-10447; CP 10447; 3-(4-Bromo-o-tolyl)-2-methyl-4(3H)-quinazolinone; CP-10447

Database IDs

• CAS Number: 843-93-6
• MDL Number: MFCD17215964
• PubChem SID: 162247375
• PubChem CID: 63773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.937249
• LogD (pH = 7.4): 3.937249
• Log P: 3.937249
• Molar Refractivity: 84.7282 cm^3
• Polarizability: 31.08033 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; DMSO: ≥10 mg/mL
• Apperance: white powder; White Solid
• Melting Point: 149-151°C

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• RID/ADR: UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule I

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C16H13BrN2O

DETAILS

Sigma Aldrich - PZ0120

Biochem/physiol Actions
CP-10447 is an inhibitor of microsomal triglyceride transfer protein (MTP, MTTP).
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - C781200

An inhibitor apolipoprotein B (apoB) and triglyceride secretion in human hepatoma cells (HepG2) by inhibiting MTP activity and stimulating the early ER degradation of apoB. It is useful tool for further study of the mechanisms of apoB secretion and trigly

REFERENCES

• Haghpassand, M. et al.: J. Lipid. Res., 37, 1468 (1996)
• Pan, M. et al.: J. Biol. chem., 275, 27399 (1996)