2-N,4-N-dibenzylquinazoline-2,4-diamine

• ChemBase ID: 155026
• Molecular Formular: C22H20N4
• Molecular Mass: 340.421
• Monoisotopic Mass: 340.16879666
• SMILES: c1ccc(cc1)CNc1c2ccccc2nc(n1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNc1nc(NCc2ccccc2)c2c(n1)cccc2
• InChI: InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
• InChIKey: QAIMUUJJAJBPCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,4-N-dibenzylquinazoline-2,4-diamine; N2,N4-dibenzylquinazoline-2,4-diamine
• IUPAC Traditional name: 2-N,4-N-dibenzylquinazoline-2,4-diamine; N2,N4-dibenzylquinazoline-2,4-diamine
• Synonyms: JRF 12; N2,N4-dibenzylquinazoline-2,4-diamine; DBeQ; DBeQ

Database IDs

• CAS Number: 177355-84-9
• MDL Number: MFCD03691820
• PubChem SID: 162249164
• PubChem CID: 676352

CALCULATED PROPERTIES

• Acid pKa: 14.947411
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.0161242
• LogD (pH = 7.4): 5.0270767
• Log P: 5.0928087
• Molar Refractivity: 108.6728 cm^3
• Polarizability: 41.288555 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: ≥20 mg/mL
• Apperance: yellow powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: room temp

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98% (HPLC)
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C22H20N4

DETAILS

Sigma Aldrich - SML0031

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
DBeQ is a potent and specific inhibitor of ATPase p97, an integral component of the ubiquitin-fusion degradation (UFD) pathway. DBeQ inhibits the degradation of ubiquitinated proteins, the endoplasmic reticulum-associated degradation pathway, and autophagosome maturation. The compound also potently inhibits cellular proliferation and induces caspase 3/7 activity and apoptosis.