6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 154607
• Molecular Formular: C14H18N2O5
• Molecular Mass: 294.30312
• Monoisotopic Mass: 294.12157169
• SMILES: COCCOc1cc2c(cc1OCCOC)nc[nH]c2=O
• Canonical SMILES: COCCOc1cc2c(cc1OCCOC)nc[nH]c2=O
• InChI: InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
• InChIKey: PMQWTUWLIGJTQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
• Synonyms: 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one; 6,7-Bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one; 6,7-Bis(2-methoxyethoxy)-4(3H)-quinazolinone; PF-00520893; CP-380736; 6,7-Bis-(2-methoxyethoxy)-4(3H)-quinazolinone

Database IDs

• CAS Number: 179688-29-0
• MDL Number: MFCD02678087
• PubChem SID: 162248745
• PubChem CID: 2809007

CALCULATED PROPERTIES

• Acid pKa: 10.232329
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.31415775
• LogD (pH = 7.4): 0.31490576
• Log P: 0.31544825
• Molar Refractivity: 77.9128 cm^3
• Polarizability: 28.857777 Å^3
• Polar Surface Area: 78.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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

Safety Information

• German water hazard class: 3
• Storage Temperature: room temp

Product Information

• Purity: ≥98% (HPLC); 95+%; 98%
• Empirical Formula (Hill Notation): C14H18N2O5

DETAILS

Sigma Aldrich - PZ0129

Legal Information
Sold for research purposes under agreement from Pfizer Inc.
Biochem/physiol Actions
CP-380736 is an inhibitor of the epidermal growth factor receptor (EGFR). EGFR is a tyrosine kinase that activates MAPK, JNK, and Akt pathways, and is an important mediator of several types of cancer, including lung cancer and glioblastoma multiforme.