4-chloro-6,7-bis(2-methoxyethoxy)quinazoline

• ChemBase ID: 67557
• Molecular Formular: C14H17ClN2O4
• Molecular Mass: 312.74878
• Monoisotopic Mass: 312.08768471
• SMILES: n1cnc(c2cc(c(cc12)OCCOC)OCCOC)Cl
• Canonical SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2Cl
• InChI: InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
• InChIKey: ZPJLDMNVDPGZIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
• IUPAC Traditional name: 4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
• Synonyms: 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline; 4-Chloro-6,7-bis(2-methoxyethoxy)-quinazoline; PF-508367; CP-335963; 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline; 4-Chloro-6,7-di(2-methoxyethoxy)quinazoline; 6,7-Bis(2-methoxyethoxy)-4-chloroquinazoline; CP-335963

Database IDs

• CAS Number: 183322-18-1
• MDL Number: MFCD09751265
• PubChem SID: 162033292
• PubChem CID: 11289942

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.8399459
• LogD (pH = 7.4): 1.8399903
• Log P: 1.8399909
• Molar Refractivity: 79.68 cm^3
• Polarizability: 31.802452 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ≥20 mg/mL
• Apperance: white to off-white powder

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26-39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Storage Temperature: room temp

Product Information

• Purity: ≥98% (SDS-PAGE); 95+%
• Empirical Formula (Hill Notation): C14H17ClN2O4

DETAILS

Sigma Aldrich - PZ0108

Biochem/physiol Actions
CP-335963 is an aurora 2 kinase inhibitor, PDGF inhibitor, and anti-proliferative.
Legal Information
Sold for research purposes under agreement from Pfizer, Inc.

Toronto Research Chemicals - C781340

CP-335963 is an aurora 2 kinase inhibitor, PDGF inhibitor, useful in the treatment of cancer.

REFERENCES

• Bedi, P., et al.: Bioorg. Med. Chem. Lett., 14, 5211 (2004)
• Mosaad, S., et al.: J. Biol. Sci., 4, 504, (2004)
• Zheng, Y., et al.: Chem. Biol. Drug Des., 76, 285 (2004)